A0A087XTL2_POEFO Loading...

ATP-binding cassette sub-family D member 3

Broad substrate specificity ATP-dependent transporter of the ATP-binding cassette (ABC) family that catalyzes the transport of long-chain fatty acids (LCFA)-CoA, dicarboxylic acids-CoA, long-branched-chain fatty acids-CoA and bile acids from the cytosol to the peroxisome lumen for beta-oxydation. Has fatty acyl-CoA thioesterase and ATPase activities. Probably hydrolyzes fatty acyl-CoAs into free fatty acids prior to their ATP-dependent transport into peroxisomes. Thus, play a role in regulation of LCFAs and energy metabolism namely, in the degradation and biosynthesis of fatty acids by beta-oxidation.

AlphaFold DB (A0A3B3UM91), UniProt , Accession A0A087XTL2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 659 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	43.5	Very low	231 Å²	231	142 Å²	142	100%	1.138	75%	0.752	S	S	*	*				0	-3	0	-79.7	-156.3	-93.2	0	0	115.2
2	A	36.2	Very low	43.6	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	73%	0.725	S	S	*	*			trans	-92.3	-13.6	-178.9	0	0	0	0	0	115.6
3	T	40.3	Very low	44	Very low	123 Å²	123	130.3 Å²	130.3	76%	0.755	70%	0.698	S	S	*	*	S	Bend	trans	-92.1	-17.3	-177.5	37.5	0	0	0	0	114.5
4	F	39.1	Very low	44.5	Very low	171 Å²	171	128.2 Å²	128.2	75%	0.75	70%	0.697	S	S	*	*	S	Bend	trans	-83.2	-12.8	177.1	-103.2	-90.3	0	0	0	114.2
5	S	43	Very low	44.8	Very low	94 Å²	94	128.3 Å²	128.3	66%	0.657	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-75.8	-26.5	-178.4	-176.6	0	0	0	0	113.1	Y7	S5-Y7 PolarHBondContact O-N 3.06Å
6	K	42.4	Very low	45	Very low	194 Å²	194	123.8 Å²	123.8	84%	0.843	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-75.8	-14.9	-177.3	-90.2	-176.5	174.7	179.7	0	115.2
7	Y	46.3	Very low	45.7	Very low	190 Å²	190	118.5 Å²	118.5	75%	0.745	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-105.9	-3.5	-178.5	-96.9	-86	0	0	0	114.6	S5 T9 N12	S5-Y7 PolarHBondContact O-N 3.06Å; Y7-T9 PolarHBondContact O-N 2.78Å; Y7-N12 PolarHBondContact O-ND2 2.78Å; Y7-N12 VanDerWaalsContact O-ND2 3.09Å
8	L	42.2	Very low	46.6	Very low	116 Å²	116	113.8 Å²	113.8	61%	0.607	64%	0.644	S	S	*	*			trans	-98.3	58.7	-175.2	-123.6	149.2	0	0	0	111.1
9	T	53.1	Low	47.5	Very low	95 Å²	95	109.4 Å²	109.4	58%	0.583	63%	0.627	S	S	*	*			trans	-74.8	145.6	166.2	-7.5	0	0	0	0	109.3	Y7 K11 N12 S13	Y7-T9 PolarHBondContact O-N 2.78Å; T9-K11 PolarHBondContact O-N 3.3Å; T9-N12 PolarHBondContact O-N 3.03Å; T9-S13 PolarHBondContact O-OG 2.81Å
10	A	48.2	Very low	48.1	Very low	84 Å²	84	110 Å²	110	69%	0.694	63%	0.627	S	S	*	*	H	α-helix	trans	-50.3	-21.1	-177.5	0	0	0	0	0	115.4	S13	A10-S13 WeakPolarHBondContact CA-OG 3.32Å
11	K	46	Very low	48.8	Very low	173 Å²	173	108.9 Å²	108.9	75%	0.752	62%	0.619	S	S	*	*	H	α-helix	trans	-68.1	-39.9	172.8	-108.8	178.7	173.2	179.4	0	113.5	T9 L15	T9-K11 PolarHBondContact O-N 3.3Å; K11-L15 PolarHBondContact O-N 2.88Å
12	N	45.2	Very low	49.7	Very low	78 Å²	78	102.9 Å²	102.9	42%	0.417	59%	0.591	S	S	.	*	H	α-helix	trans	-80.9	-32.2	-175.3	-71.3	-10.4	0	0	0	112.3	Y7 T9 A16	Y7-N12 PolarHBondContact O-ND2 2.78Å; Y7-N12 VanDerWaalsContact O-ND2 3.09Å; T9-N12 PolarHBondContact O-N 3.03Å; N12-A16 WeakPolarHBondContact O-CB 2.97Å; N12-A16 PolarHBondContact O-N 2.93Å
13	S	48.9	Very low	51	Low	54 Å²	54	104.2 Å²	104.2	38%	0.378	59%	0.585	S	S	.	*	H	α-helix	trans	-70.3	-33.1	176.2	22.8	0	0	0	0	112.7	T9 A10 G17	T9-S13 PolarHBondContact O-OG 2.81Å; A10-S13 WeakPolarHBondContact CA-OG 3.32Å; S13-G17 PolarHBondContact O-N 3.05Å
14	C	50.8	Low	52.6	Low	101 Å²	101	105.5 Å²	105.5	68%	0.682	58%	0.577	S	S	*	*	H	α-helix	trans	-71.5	-40.2	174.9	-155.5	0	0	0	0	112	G18	C14-G18 PolarHBondContact O-N 2.89Å
15	L	48.6	Very low	53.7	Low	130 Å²	130	99 Å²	99	68%	0.681	55%	0.549	S	S	*	.	H	α-helix	trans	-69.7	-40.7	175.1	-76.1	166.1	0	0	0	112.5	K11 G18 G19	K11-L15 PolarHBondContact O-N 2.88Å; L15-G18 PolarHBondContact O-N 3.17Å; L15-G19 PolarHBondContact O-N 3.2Å
16	A	47.9	Very low	54.8	Low	56 Å²	56	99.5 Å²	99.5	46%	0.463	54%	0.544	S	S	.	.	H	α-helix	trans	-65.6	-40.7	175	0	0	0	0	0	111.9	N12 G19 L20	N12-A16 WeakPolarHBondContact O-CB 2.97Å; N12-A16 PolarHBondContact O-N 2.93Å; A16-G19 PolarHBondContact O-N 2.99Å; A16-L20 WeakPolarHBondContact O-CB 3.33Å; A16-L20 WeakPolarHBondContact O-CG 3.28Å; A16-L20 PolarHBondContact O-N 2.88Å
17	G	57.3	Low	55.9	Low	33 Å²	33	99.4 Å²	99.4	34%	0.34	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-41.9	173.7	0	0	0	0	0	112.8	S13 L21	S13-G17 PolarHBondContact O-N 3.05Å; G17-L21 WeakPolarHBondContact O-CB 3.49Å; G17-L21 PolarHBondContact O-N 2.71Å; G17-L21 VanDerWaalsContact O-N 3.08Å
18	G	61.8	Low	56.6	Low	34 Å²	34	93.8 Å²	93.8	35%	0.351	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-40	174.7	0	0	0	0	0	113.4	C14 L15 L21 L22	C14-G18 PolarHBondContact O-N 2.89Å; L15-G18 PolarHBondContact O-N 3.17Å; G18-L21 PolarHBondContact O-N 3.01Å; G18-L22 WeakPolarHBondContact O-CB 3.43Å; G18-L22 PolarHBondContact O-N 2.79Å
19	G	63.8	Low	57.3	Low	31 Å²	31	96.5 Å²	96.5	32%	0.32	52%	0.521	S	S	.	.	H	α-helix	trans	-67.2	-41.3	176.6	0	0	0	0	0	113.3	L15 A16 L22 L23	L15-G19 PolarHBondContact O-N 3.2Å; A16-G19 PolarHBondContact O-N 2.99Å; G19-L22 PolarHBondContact O-N 3.44Å; G19-L23 WeakPolarHBondContact O-CB 3.38Å; G19-L23 PolarHBondContact O-N 2.85Å
20	L	59.1	Low	57	Low	121 Å²	121	95.5 Å²	95.5	63%	0.634	52%	0.518	S	S	*	.	H	α-helix	trans	-65.5	-38.9	175.2	-78	165.9	0	0	0	112.1	A16 Y24	A16-L20 WeakPolarHBondContact O-CB 3.33Å; A16-L20 WeakPolarHBondContact O-CG 3.28Å; A16-L20 PolarHBondContact O-N 2.88Å; L20-Y24 WeakPolarHBondContact O-CB 3.44Å; L20-Y24 PolarHBondContact O-N 3.21Å
21	L	63.7	Low	57.1	Low	86 Å²	86	97.3 Å²	97.3	45%	0.45	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-48	172.3	-103.3	154.3	0	0	0	111.2	G17 G18 L23 Y24 L25 F311	G17-L21 WeakPolarHBondContact O-CB 3.49Å; G17-L21 PolarHBondContact O-N 2.71Å; G17-L21 VanDerWaalsContact O-N 3.08Å; G18-L21 PolarHBondContact O-N 3.01Å; L21-L23 PolarHBondContact O-N 2.85Å; L21-Y24 WeakPolarHBondContact O-CB 3.43Å; L21-Y24 PolarHBondContact O-N 2.9Å; L21-Y24 VanDerWaalsContact O-N 3.16Å; L21-L25 WeakPolarHBondContact O-CG 3.26Å; L21-L25 PolarHBondContact O-N 3.37Å; L21-F311 HydrophobicContact CD2-CE1 4.42Å; L21-F311 HydrophobicContact CD2-CZ 4.08Å
22	L	60.3	Low	57.2	Low	106 Å²	106	91.5 Å²	91.5	56%	0.555	49%	0.491	S	S	*	.	H	α-helix	trans	-60.3	-41.6	177.5	-106.2	153.7	0	0	0	112.9	G18 G19 L25 L26	G18-L22 WeakPolarHBondContact O-CB 3.43Å; G18-L22 PolarHBondContact O-N 2.79Å; G19-L22 PolarHBondContact O-N 3.44Å; L22-L25 PolarHBondContact O-N 2.86Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 WeakPolarHBondContact O-CG 3.49Å; L22-L26 PolarHBondContact O-N 3.4Å
23	L	63.3	Low	57.1	Low	118 Å²	118	97.9 Å²	97.9	62%	0.618	51%	0.509	S	S	*	.	H	α-helix	trans	-64.6	-39.9	174.2	-82	164	0	0	0	112.1	G19 L21 L26 R27	G19-L23 WeakPolarHBondContact O-CB 3.38Å; G19-L23 PolarHBondContact O-N 2.85Å; L21-L23 PolarHBondContact O-N 2.85Å; L23-L26 PolarHBondContact O-N 2.62Å; L23-R27 WeakPolarHBondContact O-CB 3.24Å; L23-R27 PolarHBondContact O-N 3.08Å
24	Y	73.7	Confident	56.7	Low	151 Å²	151	103 Å²	103	59%	0.592	53%	0.525	S	S	*	.	H	α-helix	trans	-63.9	-44.9	174.3	-176.1	-94.9	0	0	0	111.9	L20 L21 L26 R27 H28	L20-Y24 WeakPolarHBondContact O-CB 3.44Å; L20-Y24 PolarHBondContact O-N 3.21Å; L21-Y24 WeakPolarHBondContact O-CB 3.43Å; L21-Y24 PolarHBondContact O-N 2.9Å; L21-Y24 VanDerWaalsContact O-N 3.16Å; Y24-L26 PolarHBondContact O-N 2.87Å; Y24-R27 PolarHBondContact O-N 3.43Å; Y24-H28 WeakPolarHBondContact O-CB 3.45Å; Y24-H28 PolarHBondContact O-N 3.05Å
25	L	63	Low	56.2	Low	33 Å²	33	106.2 Å²	106.2	17%	0.173	53%	0.527	C	S	.	.	H	α-helix	trans	-61.8	-41.4	177.6	-63.9	170.7	0	0	0	111.7	L21 L22 R29 F308 F311	L21-L25 WeakPolarHBondContact O-CG 3.26Å; L21-L25 PolarHBondContact O-N 3.37Å; L22-L25 PolarHBondContact O-N 2.86Å; L25-R29 PolarHBondContact O-N 2.7Å; L25-F308 HydrophobicContact CB-CE2 4.14Å; L25-F308 HydrophobicContact CB-CZ 3.82Å; L25-F308 HydrophobicContact CD2-CD2 3.79Å; L25-F308 HydrophobicContact CD2-CE1 4.24Å; L25-F308 HydrophobicContact CD2-CE2 3.03Å; L25-F308 HydrophobicContact CD2-CZ 3.29Å; L25-F308 HydrophobicContact CG-CE2 4.1Å; L25-F308 HydrophobicContact CG-CZ 4.07Å; L25-F311 HydrophobicContact CD1-CE1 4.17Å; L25-F311 HydrophobicContact CD2-CD1 4.26Å; L25-F311 HydrophobicContact CD2-CE1 4.16Å
26	L	64.9	Low	55.8	Low	106 Å²	106	108 Å²	108	56%	0.555	53%	0.531	S	S	*	.	H	α-helix	trans	-68.8	-41.2	177.9	-74.8	169.4	0	0	0	112.2	L22 L23 Y24 R29 S30	L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 WeakPolarHBondContact O-CG 3.49Å; L22-L26 PolarHBondContact O-N 3.4Å; L23-L26 PolarHBondContact O-N 2.62Å; Y24-L26 PolarHBondContact O-N 2.87Å; L26-R29 PolarHBondContact O-N 2.64Å; L26-S30 PolarHBondContact O-N 2.93Å
27	R	65.3	Low	55.1	Low	192 Å²	192	110.2 Å²	110.2	73%	0.725	54%	0.544	S	S	*	.	H	α-helix	trans	-68	-37.9	179.1	-152.8	174.1	-172.5	174.5	1.6	111.8	L23 Y24 S30 Q31	L23-R27 WeakPolarHBondContact O-CB 3.24Å; L23-R27 PolarHBondContact O-N 3.08Å; Y24-R27 PolarHBondContact O-N 3.43Å; R27-S30 PolarHBondContact O-N 2.61Å; R27-Q31 PolarHBondContact O-N 3.32Å
28	H	62.3	Low	54.2	Low	71 Å²	71	115.8 Å²	115.8	33%	0.329	57%	0.565	S	S	.	*	H	α-helix	trans	-68.9	-36.3	176.7	-162.4	-61	0	0	0	112.6	Y24 S30 Q31 T32	Y24-H28 WeakPolarHBondContact O-CB 3.45Å; Y24-H28 PolarHBondContact O-N 3.05Å; H28-S30 VanDerWaalsContact C-N 3.31Å; H28-S30 PolarHBondContact O-N 2.98Å; H28-Q31 PolarHBondContact O-N 3.05Å; H28-T32 PolarHBondContact O-N 2.88Å; H28-T32 PolarHBondContact O-OG1 3.12Å
29	R	55.6	Low	53.1	Low	174 Å²	174	122.5 Å²	122.5	66%	0.657	58%	0.584	S	S	*	*	H	α-helix	trans	-64.3	-32.8	173.8	-112.6	-179.1	169.1	177.6	-2.4	113.4	L25 L26 T32 R33	L25-R29 PolarHBondContact O-N 2.7Å; L26-R29 PolarHBondContact O-N 2.64Å; R29-T32 PolarHBondContact O-OG1 2.81Å; R29-T32 VanDerWaalsContact O-OG1 3.13Å; R29-R33 PolarHBondContact O-N 2.84Å
30	S	47.9	Very low	51.6	Low	74 Å²	74	123.7 Å²	123.7	52%	0.517	60%	0.597	S	S	.	*	H	α-helix	trans	-71	-40.6	176.4	177.2	0	0	0	0	112	L26 R27 H28 R33 K34	L26-S30 PolarHBondContact O-N 2.93Å; R27-S30 PolarHBondContact O-N 2.61Å; H28-S30 VanDerWaalsContact C-N 3.31Å; H28-S30 PolarHBondContact O-N 2.98Å; S30-R33 PolarHBondContact O-N 2.88Å; S30-K34 PolarHBondContact O-N 2.93Å
31	Q	49	Very low	50.5	Low	122 Å²	122	124.7 Å²	124.7	57%	0.57	61%	0.608	S	S	*	*	H	α-helix	trans	-70.4	-35.3	179.7	-72.9	-177.8	-13.4	0	0	113.5	R27 H28 K34 K35	R27-Q31 PolarHBondContact O-N 3.32Å; H28-Q31 PolarHBondContact O-N 3.05Å; Q31-K34 PolarHBondContact O-N 3.34Å; Q31-K35 PolarHBondContact O-N 2.89Å; Q31-K35 VanDerWaalsContact O-N 3.1Å
32	T	49.3	Very low	49	Very low	50 Å²	50	126.5 Å²	126.5	31%	0.307	63%	0.628	S	S	.	*	H	α-helix	trans	-68.5	-33.9	175.7	49.9	0	0	0	0	112.5	H28 R29 H36	H28-T32 PolarHBondContact O-N 2.88Å; H28-T32 PolarHBondContact O-OG1 3.12Å; R29-T32 PolarHBondContact O-OG1 2.81Å; R29-T32 VanDerWaalsContact O-OG1 3.13Å; T32-H36 PolarHBondContact O-N 2.8Å
33	R	43.6	Very low	47.5	Very low	213 Å²	213	130.7 Å²	130.7	80%	0.804	65%	0.645	S	S	*	*	H	α-helix	trans	-65.1	-41.3	171.1	-90	-176.1	170.6	-178.4	-3.3	112.7	R29 S30 H36	R29-R33 PolarHBondContact O-N 2.84Å; S30-R33 PolarHBondContact O-N 2.88Å; R33-H36 PolarHBondContact O-N 2.84Å
34	K	38.5	Very low	45.9	Very low	162 Å²	162	133 Å²	133	70%	0.704	66%	0.657	S	S	*	*	H	α-helix	trans	-66.8	-35.4	176.8	-96.8	-175.7	173.4	-176.5	0	113.3	S30 Q31 S37	S30-K34 PolarHBondContact O-N 2.93Å; Q31-K34 PolarHBondContact O-N 3.34Å; K34-S37 PolarHBondContact O-N 2.92Å
35	K	41.5	Very low	43.9	Very low	167 Å²	167	132.7 Å²	132.7	73%	0.726	67%	0.665	S	S	*	*	H	α-helix	trans	-71.2	-26.4	177.5	-108.7	177.1	178.6	174.6	0	114	Q31 S37	Q31-K35 PolarHBondContact O-N 2.89Å; Q31-K35 VanDerWaalsContact O-N 3.1Å; K35-S37 VanDerWaalsContact C-N 3.34Å
36	H	40.4	Very low	42.2	Very low	167 Å²	167	137 Å²	137	77%	0.773	69%	0.692	S	S	*	*	H	α-helix	trans	-74.9	-21.6	176.2	-109.9	-78.5	0	0	0	113.5	T32 R33	T32-H36 PolarHBondContact O-N 2.8Å; R33-H36 PolarHBondContact O-N 2.84Å
37	S	33.7	Very low	40.3	Very low	103 Å²	103	138.7 Å²	138.7	72%	0.72	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-14.2	178.9	-178	0	0	0	0	114.2	K34 K35	K34-S37 PolarHBondContact O-N 2.92Å; K35-S37 VanDerWaalsContact C-N 3.34Å
38	L	37.2	Very low	38.6	Very low	150 Å²	150	134.3 Å²	134.3	79%	0.785	70%	0.696	S	S	*	*	S	Bend	trans	-113.8	1.8	-169.9	-93.6	146.7	0	0	0	114.3
39	K	38.9	Very low	37.1	Very low	175 Å²	175	139.8 Å²	139.8	76%	0.761	72%	0.722	S	S	*	*			trans	-105.4	54.4	174.8	-76.9	-174.9	174.1	-177.5	0	111.2
40	G	32.6	Very low	35.9	Very low	56 Å²	56	138.4 Å²	138.4	58%	0.577	72%	0.721	S	S	*	*			trans	-90.2	143	150.9	0	0	0	0	0	107.4
41	T	36.3	Very low	35.1	Very low	143 Å²	143	142.1 Å²	142.1	88%	0.877	74%	0.735	S	S	*	*	S	Bend	trans	88.5	127.1	177.2	-16	0	0	0	0	115.8
42	S	30.8	Very low	34.1	Very low	123 Å²	123	138.6 Å²	138.6	86%	0.86	73%	0.731	S	S	*	*			trans	81.4	58	-177.3	60.8	0	0	0	0	117.6
43	Q	29.7	Very low	33.3	Very low	195 Å²	195	146.5 Å²	146.5	91%	0.911	76%	0.761	S	S	*	*			trans	-85.1	114.5	151.7	-83	175.1	-28.3	0	0	108.8
44	L	30.6	Very low	33.3	Very low	167 Å²	167	144 Å²	144	87%	0.874	76%	0.757	S	S	*	*			trans	-74.7	120.4	163.4	-98.5	149.7	0	0	0	108	V46	L44-V46 PolarHBondContact O-N 2.89Å; L44-V46 VanDerWaalsContact O-N 3.16Å
45	L	29.8	Very low	33.5	Very low	144 Å²	144	141.8 Å²	141.8	75%	0.754	75%	0.752	S	S	*	*			trans	-57.6	108.3	-177.9	-73.9	155	0	0	0	111.4
46	V	28.7	Very low	33.8	Very low	124 Å²	124	142.7 Å²	142.7	75%	0.752	76%	0.756	S	S	*	*			trans	-117.4	90.6	145.3	178.6	0	0	0	0	105.3	L44 T48	L44-V46 PolarHBondContact O-N 2.89Å; L44-V46 VanDerWaalsContact O-N 3.16Å; V46-T48 PolarHBondContact O-N 3.09Å
47	N	25.5	Very low	34.4	Very low	141 Å²	141	137.7 Å²	137.7	75%	0.754	74%	0.737	S	S	*	*			trans	-61.1	95.5	173.8	-91.7	-9.8	0	0	0	109.4
48	T	28.7	Very low	35.6	Very low	99 Å²	99	134.6 Å²	134.6	61%	0.607	72%	0.718	S	S	*	*			trans	-133.2	37.1	162.2	35.9	0	0	0	0	110.3	V46	V46-T48 PolarHBondContact O-N 3.09Å
49	E	30.6	Very low	36.9	Very low	187 Å²	187	130.2 Å²	130.2	87%	0.874	70%	0.697	S	S	*	*			trans	-99	94.8	165.1	-74.3	-166.7	166.3	0	0	109.7
50	K	30.8	Very low	38.6	Very low	145 Å²	145	126.1 Å²	126.1	63%	0.63	68%	0.684	S	S	*	*			trans	-134.6	109.3	141.9	-84.1	-170.3	175.9	177.2	0	107.5	G52 S412	K50-G52 PolarHBondContact O-N 3.17Å; K50-S412 PolarHBondContact NZ-OG 3.13Å
51	D	31	Very low	40.8	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	70%	0.695	S	S	*	*			trans	-63.9	83.5	168	-91.8	-30.6	0	0	0	109.2
52	G	28	Very low	42.8	Very low	48 Å²	48	129 Å²	129	50%	0.495	67%	0.674	S	S	.	*			trans	-63.1	140	155.4	0	0	0	0	0	108.4	K50 K54	K50-G52 PolarHBondContact O-N 3.17Å; G52-K54 VanDerWaalsContact C-N 3.32Å; G52-K54 WeakPolarHBondContact O-CG 3.38Å; G52-K54 PolarHBondContact O-N 2.86Å
53	K	33	Very low	45.2	Very low	217 Å²	217	123.5 Å²	123.5	94%	0.943	64%	0.635	S	S	*	*			trans	-43.1	87.7	179.6	-76.9	174.3	174.2	171.8	0	112	D55	K53-D55 PolarHBondContact O-N 2.82Å; K53-D55 VanDerWaalsContact O-N 3.16Å
54	K	42.5	Very low	47.7	Very low	161 Å²	161	119 Å²	119	70%	0.7	61%	0.613	S	S	*	*			trans	-79.4	104.9	177.8	-81.8	171.9	-171.6	167.4	0	108	G52 K56	G52-K54 VanDerWaalsContact C-N 3.32Å; G52-K54 WeakPolarHBondContact O-CG 3.38Å; G52-K54 PolarHBondContact O-N 2.86Å; K54-K56 PolarHBondContact O-N 2.9Å; K54-K56 VanDerWaalsContact O-N 3.15Å
55	D	44.2	Very low	50.4	Low	115 Å²	115	116.8 Å²	116.8	62%	0.615	60%	0.601	S	S	*	*			trans	-45.7	119.9	169.5	-124.9	2	0	0	0	108.6	K53 T57 R66	K53-D55 PolarHBondContact O-N 2.82Å; K53-D55 VanDerWaalsContact O-N 3.16Å; D55-T57 PolarHBondContact O-N 3.22Å; D55-T57 VanDerWaalsContact O-N 3.1Å; D55-R66 IonicContact OD2-CZ 2.69Å; D55-R66 IonicContact OD2-NH1 2.94Å; D55-R66 IonicContact OD2-NH2 3.5Å; D55-R66 PolarHBondContact OD2-NH2 3Å
56	K	46.7	Very low	53.1	Low	185 Å²	185	113 Å²	113	80%	0.804	58%	0.577	S	S	*	*			trans	-58	122.1	-176.2	-72.5	172.9	-178.9	168.6	0	108	K54 A58	K54-K56 PolarHBondContact O-N 2.9Å; K54-K56 VanDerWaalsContact O-N 3.15Å; K56-A58 PolarHBondContact O-N 2.84Å
57	T	52.8	Low	56	Low	62 Å²	62	107.9 Å²	107.9	38%	0.38	55%	0.545	S	S	.	.			trans	-70	75.9	173.1	43.4	0	0	0	0	109.8	D55 A389	D55-T57 PolarHBondContact O-N 3.22Å; D55-T57 VanDerWaalsContact O-N 3.1Å; T57-A389 HydrophobicContact CG2-CB 4.35Å
58	A	59.8	Low	58.9	Low	39 Å²	39	106.2 Å²	106.2	32%	0.322	54%	0.536	S	S	.	.			trans	-121	150.8	177	0	0	0	0	0	110.2	K56 D60 S385	K56-A58 PolarHBondContact O-N 2.84Å; A58-D60 WeakPolarHBondContact CB-OD2 3.31Å; A58-D60 PolarHBondContact O-N 2.75Å; A58-S385 PolarHBondContact O-OG 2.84Å
59	V	64.9	Low	61.8	Low	57 Å²	57	109.1 Å²	109.1	35%	0.345	54%	0.535	S	S	.	.			trans	-75.8	77.1	175	-174.5	0	0	0	0	108.1	F63 F64 M381	V59-F63 HydrophobicContact CG1-CD1 3.8Å; V59-F63 HydrophobicContact CG1-CE1 4.06Å; V59-F64 HydrophobicContact CG1-CE2 4.01Å; V59-F64 HydrophobicContact CG1-CZ 4.28Å; V59-M381 HydrophobicContact CG1-CE 4.41Å; V59-M381 HydrophobicContact CG1-CG 4.01Å; V59-M381 HydrophobicContact CG2-CG 4.17Å
60	D	74.4	Confident	64.6	Low	89 Å²	89	100.3 Å²	100.3	48%	0.476	49%	0.494	S	S	.	.			trans	-106.9	174.3	-177.3	-64.8	-23.8	0	0	0	111.4	A58 V62 F63 F64	A58-D60 WeakPolarHBondContact CB-OD2 3.31Å; A58-D60 PolarHBondContact O-N 2.75Å; D60-V62 PolarHBondContact O-N 2.84Å; D60-V62 VanDerWaalsContact O-N 3.11Å; D60-F63 WeakPolarHBondContact O-CB 2.93Å; D60-F63 PolarHBondContact O-N 2.97Å; D60-F64 WeakPolarHBondContact O-CD2 3.24Å; D60-F64 PolarHBondContact O-N 3.06Å
61	K	77.1	Confident	67.4	Low	187 Å²	187	95.9 Å²	95.9	81%	0.813	48%	0.477	S	S	*	.	H	α-helix	trans	-53.5	-34.4	175.4	-65.7	-175	179.9	179.9	0	112.3	F64 L65	K61-F64 PolarHBondContact O-N 3.18Å; K61-L65 PolarHBondContact O-N 3.4Å; K61-L65 VanDerWaalsContact O-N 3.17Å
62	V	78.4	Confident	70.1	Confident	73 Å²	73	98 Å²	98	44%	0.442	47%	0.474	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176	-179.4	0	0	0	0	111.5	D60 F64 L65 R66	D60-V62 PolarHBondContact O-N 2.84Å; D60-V62 VanDerWaalsContact O-N 3.11Å; V62-F64 VanDerWaalsContact C-N 3.34Å; V62-F64 PolarHBondContact O-N 3.08Å; V62-L65 PolarHBondContact O-N 3.19Å; V62-R66 HydrophobicContact CG1-CG 4.33Å; V62-R66 VanDerWaalsContact O-CG 3.29Å; V62-R66 WeakPolarHBondContact O-CG 3.15Å; V62-R66 PolarHBondContact O-N 2.94Å
63	F	81.4	Confident	73	Confident	7 Å²	7	97 Å²	97	3%	0.031	46%	0.456	C	S	.	.	H	α-helix	trans	-60	-44.8	176.2	158	-95.1	0	0	0	111.3	V59 D60 L65 R66 I67 M381 L384 S385 T388	V59-F63 HydrophobicContact CG1-CD1 3.8Å; V59-F63 HydrophobicContact CG1-CE1 4.06Å; D60-F63 WeakPolarHBondContact O-CB 2.93Å; D60-F63 PolarHBondContact O-N 2.97Å; F63-L65 VanDerWaalsContact C-N 3.34Å; F63-L65 PolarHBondContact O-N 3.33Å; F63-R66 PolarHBondContact O-N 3.4Å; F63-I67 HydrophobicContact CE1-CG2 4.48Å; F63-I67 HydrophobicContact CE2-CB 4.48Å; F63-I67 HydrophobicContact CE2-CD1 4.43Å; F63-I67 HydrophobicContact CZ-CB 4.48Å; F63-I67 HydrophobicContact CZ-CD1 3.99Å; F63-I67 HydrophobicContact CZ-CG2 4.44Å; F63-I67 WeakPolarHBondContact O-CG2 3.16Å; F63-I67 PolarHBondContact O-N 3.03Å; F63-M381 HydrophobicContact CE1-CE 3.49Å; F63-M381 VanDerWaalsContact CE1-CE 3.49Å; F63-M381 HydrophobicContact CE1-CG 4.49Å; F63-M381 HydrophobicContact CE1-SD 3.62Å; F63-M381 HydrophobicContact CZ-CE 4.06Å; F63-M381 HydrophobicContact CZ-SD 3.58Å; F63-M381 VanDerWaalsContact CZ-SD 3.58Å; F63-L384 HydrophobicContact CE2-CG 4.37Å; F63-L384 HydrophobicContact CZ-CD2 4.34Å; F63-L384 HydrophobicContact CZ-CG 4.3Å; F63-S385 VanDerWaalsContact CE2-CA 3.41Å; F63-T388 HydrophobicContact CD2-CG2 4Å; F63-T388 HydrophobicContact CE2-CG2 4.08Å; F63-T388 WeakPolarHBondContact CE2-OG1 3.45Å
64	F	83.8	Confident	75.7	Confident	102 Å²	102	86.6 Å²	86.6	45%	0.447	41%	0.412	S	S	.	.	H	α-helix	trans	-63.8	-37.4	177.9	-74.3	-78.1	0	0	0	112.7	V59 D60 K61 V62 I67 L68 M381	V59-F64 HydrophobicContact CG1-CE2 4.01Å; V59-F64 HydrophobicContact CG1-CZ 4.28Å; D60-F64 WeakPolarHBondContact O-CD2 3.24Å; D60-F64 PolarHBondContact O-N 3.06Å; K61-F64 PolarHBondContact O-N 3.18Å; V62-F64 VanDerWaalsContact C-N 3.34Å; V62-F64 PolarHBondContact O-N 3.08Å; F64-I67 VanDerWaalsContact O-CG2 3.27Å; F64-I67 WeakPolarHBondContact O-CG2 3.5Å; F64-L68 WeakPolarHBondContact O-CB 3.13Å; F64-L68 WeakPolarHBondContact O-CD1 3.35Å; F64-L68 WeakPolarHBondContact O-CG 3.4Å; F64-L68 PolarHBondContact O-N 3.2Å; F64-M381 HydrophobicContact CE1-CE 3.48Å; F64-M381 VanDerWaalsContact CE1-CE 3.48Å; F64-M381 HydrophobicContact CZ-CE 3.53Å
65	L	85.8	Confident	78	Confident	120 Å²	120	80.7 Å²	80.7	63%	0.628	39%	0.389	S	S	*	.	H	α-helix	trans	-65.7	-41.6	173.4	-70.9	166.7	0	0	0	112.1	K61 V62 F63 R69	K61-L65 PolarHBondContact O-N 3.4Å; K61-L65 VanDerWaalsContact O-N 3.17Å; V62-L65 PolarHBondContact O-N 3.19Å; F63-L65 VanDerWaalsContact C-N 3.34Å; F63-L65 PolarHBondContact O-N 3.33Å; L65-R69 PolarHBondContact O-N 3.26Å; L65-R69 VanDerWaalsContact O-N 3.12Å
66	R	86.9	Confident	79.8	Confident	64 Å²	64	78.6 Å²	78.6	24%	0.242	38%	0.381	C	S	.	.	H	α-helix	trans	-63.8	-47.8	177.9	-71.4	-179.7	-177.7	169.6	6	111.6	D55 V62 F63 R69 I70 T388 T392	D55-R66 IonicContact OD2-CZ 2.69Å; D55-R66 IonicContact OD2-NH1 2.94Å; D55-R66 IonicContact OD2-NH2 3.5Å; D55-R66 PolarHBondContact OD2-NH2 3Å; V62-R66 HydrophobicContact CG1-CG 4.33Å; V62-R66 VanDerWaalsContact O-CG 3.29Å; V62-R66 WeakPolarHBondContact O-CG 3.15Å; V62-R66 PolarHBondContact O-N 2.94Å; F63-R66 PolarHBondContact O-N 3.4Å; R66-R69 WeakPolarHBondContact O-CB 3.2Å; R66-R69 PolarHBondContact O-N 2.98Å; R66-I70 WeakPolarHBondContact O-CG1 3.37Å; R66-I70 PolarHBondContact O-N 3.07Å; R66-I70 VanDerWaalsContact O-N 3.14Å; R66-T388 HydrophobicContact CB-CG2 3.73Å; R66-T392 HydrophobicContact CG-CG2 3.96Å
67	I	88.9	Confident	81.7	Confident	16 Å²	16	79 Å²	79	8%	0.082	38%	0.378	C	S	.	.	H	α-helix	trans	-66.1	-39.3	179.1	-165	170.7	0	0	0	111.8	F63 F64 R69 I70 L71 L384 T388	F63-I67 HydrophobicContact CE1-CG2 4.48Å; F63-I67 HydrophobicContact CE2-CB 4.48Å; F63-I67 HydrophobicContact CE2-CD1 4.43Å; F63-I67 HydrophobicContact CZ-CB 4.48Å; F63-I67 HydrophobicContact CZ-CD1 3.99Å; F63-I67 HydrophobicContact CZ-CG2 4.44Å; F63-I67 WeakPolarHBondContact O-CG2 3.16Å; F63-I67 PolarHBondContact O-N 3.03Å; F64-I67 VanDerWaalsContact O-CG2 3.27Å; F64-I67 WeakPolarHBondContact O-CG2 3.5Å; I67-R69 VanDerWaalsContact C-N 3.29Å; I67-R69 PolarHBondContact O-N 3.14Å; I67-I70 PolarHBondContact O-N 3.21Å; I67-I70 VanDerWaalsContact O-N 3.16Å; I67-L71 HydrophobicContact CG1-CD1 4.13Å; I67-L71 HydrophobicContact CG1-CG 4.25Å; I67-L71 WeakPolarHBondContact O-CB 3.43Å; I67-L71 WeakPolarHBondContact O-CG 3.39Å; I67-L71 PolarHBondContact O-N 3.2Å; I67-L384 HydrophobicContact CD1-CD1 4.49Å; I67-L384 HydrophobicContact CD1-CD2 3.59Å; I67-L384 HydrophobicContact CD1-CG 4.1Å; I67-T388 HydrophobicContact CB-CG2 4.17Å
68	L	87.9	Confident	82.9	Confident	107 Å²	107	81.6 Å²	81.6	56%	0.56	39%	0.393	S	S	*	.	H	α-helix	trans	-61.2	-38.2	175.5	-76.9	168.5	0	0	0	112	F64 L71 R72	F64-L68 WeakPolarHBondContact O-CB 3.13Å; F64-L68 WeakPolarHBondContact O-CD1 3.35Å; F64-L68 WeakPolarHBondContact O-CG 3.4Å; F64-L68 PolarHBondContact O-N 3.2Å; L68-L71 PolarHBondContact O-N 3.36Å; L68-R72 PolarHBondContact O-N 3.38Å
69	R	88.3	Confident	84	Confident	160 Å²	160	89 Å²	89	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-62.8	-42.5	174.7	-173.3	-176.4	-67.5	176.1	-2.1	111.8	L65 R66 I67	L65-R69 PolarHBondContact O-N 3.26Å; L65-R69 VanDerWaalsContact O-N 3.12Å; R66-R69 WeakPolarHBondContact O-CB 3.2Å; R66-R69 PolarHBondContact O-N 2.98Å; I67-R69 VanDerWaalsContact C-N 3.29Å; I67-R69 PolarHBondContact O-N 3.14Å
70	I	90.2	Very high	85.1	Confident	1 Å²	1	87.4 Å²	87.4	1%	0.005	41%	0.409	C	S	.	.	H	α-helix	trans	-71.3	-40.4	177.8	-61	167.6	0	0	0	110.6	R66 I67 R72 I73 M74 L158 F196 T388 I391 M395	R66-I70 WeakPolarHBondContact O-CG1 3.37Å; R66-I70 PolarHBondContact O-N 3.07Å; R66-I70 VanDerWaalsContact O-N 3.14Å; I67-I70 PolarHBondContact O-N 3.21Å; I67-I70 VanDerWaalsContact O-N 3.16Å; I70-R72 VanDerWaalsContact C-N 3.28Å; I70-R72 PolarHBondContact O-N 2.88Å; I70-I73 WeakPolarHBondContact O-CA 3.34Å; I70-I73 VanDerWaalsContact O-CB 3.24Å; I70-I73 WeakPolarHBondContact O-CB 3.27Å; I70-I73 PolarHBondContact O-N 3.14Å; I70-M74 HydrophobicContact CG2-SD 3.88Å; I70-M74 WeakPolarHBondContact O-CG 3.46Å; I70-M74 PolarHBondContact O-N 2.92Å; I70-L158 HydrophobicContact CG2-CD1 4.24Å; I70-L158 HydrophobicContact CG2-CD2 4.21Å; I70-F196 HydrophobicContact CB-CZ 4.17Å; I70-F196 HydrophobicContact CD1-CE2 4.43Å; I70-F196 HydrophobicContact CD1-CZ 4.15Å; I70-F196 HydrophobicContact CG2-CE1 3.52Å; I70-F196 HydrophobicContact CG2-CZ 3.58Å; I70-T388 HydrophobicContact CD1-CG2 4.12Å; I70-I391 HydrophobicContact CD1-CB 4.35Å; I70-I391 HydrophobicContact CD1-CG2 3.96Å; I70-M395 HydrophobicContact CG1-SD 4.11Å
71	L	89.3	Confident	85.7	Confident	52 Å²	52	89.3 Å²	89.3	27%	0.272	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-36.6	176.3	-76.7	171.4	0	0	0	112.2	I67 L68 I73 M74 V75 V200	I67-L71 HydrophobicContact CG1-CD1 4.13Å; I67-L71 HydrophobicContact CG1-CG 4.25Å; I67-L71 WeakPolarHBondContact O-CB 3.43Å; I67-L71 WeakPolarHBondContact O-CG 3.39Å; I67-L71 PolarHBondContact O-N 3.2Å; L68-L71 PolarHBondContact O-N 3.36Å; L71-I73 PolarHBondContact O-N 2.96Å; L71-M74 HydrophobicContact CD2-SD 4.21Å; L71-M74 PolarHBondContact O-N 3.12Å; L71-M74 VanDerWaalsContact O-N 3.12Å; L71-V75 PolarHBondContact O-N 2.93Å; L71-V200 HydrophobicContact CD2-CG1 3.86Å
72	R	88.8	Confident	86.3	Confident	197 Å²	197	80.7 Å²	80.7	74%	0.743	38%	0.38	S	S	*	.	H	α-helix	trans	-62.4	-20.9	173.8	-170.3	173.6	-179.6	171.2	0.9	113.2	L68 I70 P76	L68-R72 PolarHBondContact O-N 3.38Å; I70-R72 VanDerWaalsContact C-N 3.28Å; I70-R72 PolarHBondContact O-N 2.88Å; R72-P76 WeakPolarHBondContact O-CA 3.17Å
73	I	88.4	Confident	86.9	Confident	25 Å²	25	78.2 Å²	78.2	13%	0.128	37%	0.365	C	S	.	.	H	α-helix	trans	-81.6	-43.1	174.1	-62.3	175.5	0	0	0	110.3	I70 L71 K161 M395	I70-I73 WeakPolarHBondContact O-CA 3.34Å; I70-I73 VanDerWaalsContact O-CB 3.24Å; I70-I73 WeakPolarHBondContact O-CB 3.27Å; I70-I73 PolarHBondContact O-N 3.14Å; L71-I73 PolarHBondContact O-N 2.96Å; I73-K161 HydrophobicContact CB-CD 4.41Å; I73-K161 HydrophobicContact CD1-CD 4.01Å; I73-K161 HydrophobicContact CG1-CD 4.25Å; I73-K161 HydrophobicContact CG2-CB 4.42Å; I73-K161 HydrophobicContact CG2-CD 3.37Å; I73-M395 HydrophobicContact CD1-CE 3.26Å; I73-M395 HydrophobicContact CD1-SD 4.23Å
74	M	89.6	Confident	87.3	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-70.3	-40.2	-178.2	-59.3	162.1	78	0	0	111	I70 L71 P76 F154 R157 F196	I70-M74 HydrophobicContact CG2-SD 3.88Å; I70-M74 WeakPolarHBondContact O-CG 3.46Å; I70-M74 PolarHBondContact O-N 2.92Å; L71-M74 HydrophobicContact CD2-SD 4.21Å; L71-M74 PolarHBondContact O-N 3.12Å; L71-M74 VanDerWaalsContact O-N 3.12Å; M74-P76 WeakPolarHBondContact O-CD 3.38Å; M74-F154 HydrophobicContact CB-CD1 4.04Å; M74-F154 HydrophobicContact CB-CE1 4.17Å; M74-F154 HydrophobicContact CB-CG 4.42Å; M74-F154 HydrophobicContact CE-CB 3.4Å; M74-F154 HydrophobicContact CE-CD1 4.1Å; M74-F154 HydrophobicContact CE-CD2 3.19Å; M74-F154 HydrophobicContact CE-CE2 3.87Å; M74-F154 HydrophobicContact CE-CG 3.31Å; M74-R157 PolarHBondContact O-NH1 2.96Å; M74-F196 HydrophobicContact CE-CE1 4.17Å; M74-F196 HydrophobicContact SD-CE1 3.74Å; M74-F196 HydrophobicContact SD-CZ 4.46Å
75	V	89.8	Confident	87.7	Confident	36 Å²	36	78.4 Å²	78.4	22%	0.218	37%	0.374	C	S	.	.	S	Bend	trans	-121.7	86.6	177.9	-171.5	0	0	0	0	109	L71 E82 T83 L86 F154	L71-V75 PolarHBondContact O-N 2.93Å; V75-E82 HydrophobicContact CG2-CB 4.25Å; V75-T83 WeakPolarHBondContact CG1-OG1 3.31Å; V75-L86 HydrophobicContact CG2-CD1 4.12Å; V75-F154 HydrophobicContact CG2-CE1 3.65Å; V75-F154 HydrophobicContact CG2-CZ 3.86Å
76	P	82.5	Confident	87.9	Confident	71 Å²	71	74.6 Å²	74.6	46%	0.461	35%	0.354	S	S	.	.			trans	-80.4	-27.1	-171.8	30.6	-34.3	0	0	0	113.8	R72 M74	R72-P76 WeakPolarHBondContact O-CA 3.17Å; M74-P76 WeakPolarHBondContact O-CD 3.38Å
77	R	86	Confident	88.1	Confident	194 Å²	194	77 Å²	77	73%	0.732	37%	0.371	S	S	*	.	S	Bend	trans	-139.1	156	-176.9	-66	-174.5	-179.9	178.5	-0.1	110.3	F79 C80 T83	R77-F79 VanDerWaalsContact C-N 3.3Å; R77-F79 PolarHBondContact O-N 2.7Å; R77-C80 PolarHBondContact O-SG 3.4Å; R77-T83 PolarHBondContact O-OG1 3.32Å
78	V	78.8	Confident	88.2	Confident	116 Å²	116	79.1 Å²	79.1	70%	0.703	38%	0.382	S	S	*	.	S	Bend	trans	-66.4	-35.9	176.2	-173.6	0	0	0	0	110.6	C80 T83	V78-C80 PolarHBondContact O-N 3.35Å; V78-T83 WeakPolarHBondContact O-CB 3.35Å; V78-T83 WeakPolarHBondContact O-CG2 3.42Å; V78-T83 PolarHBondContact O-OG1 3.41Å
79	F	83.3	Confident	88.3	Confident	196 Å²	196	74 Å²	74	86%	0.86	36%	0.356	S	S	*	.	S	Bend	trans	-96.2	80.3	174.9	-63.2	-78.5	0	0	0	111.3	R77	R77-F79 VanDerWaalsContact C-N 3.3Å; R77-F79 PolarHBondContact O-N 2.7Å
80	C	88.3	Confident	88.4	Confident	22 Å²	22	68 Å²	68	15%	0.149	34%	0.34	C	S	.	.	S	Bend	trans	-141.5	161.2	170.7	70.3	0	0	0	0	110.6	R77 V78 E82 T83 A84	R77-C80 PolarHBondContact O-SG 3.4Å; V78-C80 PolarHBondContact O-N 3.35Å; C80-E82 VanDerWaalsContact CB-OE2 3.28Å; C80-E82 WeakPolarHBondContact CB-OE2 3.07Å; C80-E82 PolarHBondContact O-N 2.76Å; C80-E82 PolarHBondContact SG-OE2 3.47Å; C80-T83 PolarHBondContact O-N 3.16Å; C80-T83 PolarHBondContact SG-OG1 2.89Å; C80-A84 PolarHBondContact O-N 3.34Å
81	M	86.4	Confident	88.5	Confident	130 Å²	130	70.9 Å²	70.9	64%	0.64	36%	0.36	S	S	*	.	H	α-helix	trans	-58.3	-32.9	-179.7	-69.5	-63.4	159.2	0	0	112	A84 Y85	M81-A84 WeakPolarHBondContact O-CB 3.2Å; M81-A84 PolarHBondContact O-N 2.95Å; M81-Y85 WeakPolarHBondContact O-CD2 3.34Å; M81-Y85 PolarHBondContact O-N 3.29Å
82	E	90.1	Very high	88.6	Confident	5 Å²	5	70.2 Å²	70.2	2%	0.023	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-41.1	176.5	-59.5	74.8	-166.7	0	0	112.2	V75 C80 A84 Y85 L86 L150 R153 F154 R157	V75-E82 HydrophobicContact CG2-CB 4.25Å; C80-E82 VanDerWaalsContact CB-OE2 3.28Å; C80-E82 WeakPolarHBondContact CB-OE2 3.07Å; C80-E82 PolarHBondContact O-N 2.76Å; C80-E82 PolarHBondContact SG-OE2 3.47Å; E82-A84 VanDerWaalsContact C-N 3.31Å; E82-Y85 PolarHBondContact O-N 2.87Å; E82-L86 WeakPolarHBondContact O-CG 3.49Å; E82-L86 PolarHBondContact O-N 2.76Å; E82-L150 HydrophobicContact CB-CD1 4.29Å; E82-R153 HydrophobicContact CG-CB 4.18Å; E82-F154 HydrophobicContact CB-CE1 4.06Å; E82-F154 HydrophobicContact CG-CD1 4.31Å; E82-F154 HydrophobicContact CG-CE1 4.21Å; E82-R157 IonicContact OE1-CZ 3.22Å; E82-R157 IonicContact OE1-NE 2.78Å; E82-R157 PolarHBondContact OE1-NE 3.36Å; E82-R157 IonicContact OE1-NH1 3.55Å; E82-R157 PolarHBondContact OE1-NH1 3.34Å; E82-R157 IonicContact OE1-NH2 3.83Å; E82-R157 PolarHBondContact OE1-NH2 3.22Å; E82-R157 IonicContact OE2-CZ 2.7Å; E82-R157 IonicContact OE2-NH1 3.44Å; E82-R157 PolarHBondContact OE2-NH1 3.08Å; E82-R157 IonicContact OE2-NH2 2.84Å; E82-R157 PolarHBondContact OE2-NH2 3.41Å
83	T	89.9	Confident	88.7	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.135	32%	0.322	C	S	.	.	H	α-helix	trans	-66.2	-37.3	173.8	-53.7	0	0	0	0	111	V75 R77 V78 C80 Y85 L86 L87	V75-T83 WeakPolarHBondContact CG1-OG1 3.31Å; R77-T83 PolarHBondContact O-OG1 3.32Å; V78-T83 WeakPolarHBondContact O-CB 3.35Å; V78-T83 WeakPolarHBondContact O-CG2 3.42Å; V78-T83 PolarHBondContact O-OG1 3.41Å; C80-T83 PolarHBondContact O-N 3.16Å; C80-T83 PolarHBondContact SG-OG1 2.89Å; T83-Y85 PolarHBondContact O-N 3.41Å; T83-L86 PolarHBondContact O-N 3.32Å; T83-L87 HydrophobicContact CG2-CD1 4.27Å; T83-L87 HydrophobicContact CG2-CG 4.41Å; T83-L87 WeakPolarHBondContact O-CB 3.35Å; T83-L87 WeakPolarHBondContact O-CG 3.39Å; T83-L87 PolarHBondContact O-N 3.05Å
84	A	90.4	Very high	88.7	Confident	53 Å²	53	63.9 Å²	63.9	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-44	174.3	0	0	0	0	0	111.7	C80 M81 E82 L87 L88	C80-A84 PolarHBondContact O-N 3.34Å; M81-A84 WeakPolarHBondContact O-CB 3.2Å; M81-A84 PolarHBondContact O-N 2.95Å; E82-A84 VanDerWaalsContact C-N 3.31Å; A84-L87 PolarHBondContact O-N 3.08Å; A84-L88 WeakPolarHBondContact O-CB 3.48Å; A84-L88 PolarHBondContact O-N 2.9Å
85	Y	91.6	Very high	88.8	Confident	60 Å²	60	65.5 Å²	65.5	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-37.9	173.8	-77.7	-64.3	0	0	0	112.9	M81 E82 T83 L87 L88 I89 E149	M81-Y85 WeakPolarHBondContact O-CD2 3.34Å; M81-Y85 PolarHBondContact O-N 3.29Å; E82-Y85 PolarHBondContact O-N 2.87Å; T83-Y85 PolarHBondContact O-N 3.41Å; Y85-L87 VanDerWaalsContact C-N 3.34Å; Y85-L87 PolarHBondContact O-N 3.08Å; Y85-L88 HydrophobicContact CD1-CD2 4.07Å; Y85-L88 HydrophobicContact CE1-CD2 4.38Å; Y85-L88 PolarHBondContact O-N 2.72Å; Y85-I89 WeakPolarHBondContact O-CB 3.3Å; Y85-I89 WeakPolarHBondContact O-CD1 3.41Å; Y85-I89 WeakPolarHBondContact O-CG1 3.39Å; Y85-I89 PolarHBondContact O-N 3.42Å; Y85-E149 HydrophobicContact CD1-CG 4.43Å; Y85-E149 HydrophobicContact CD2-CG 4.24Å; Y85-E149 HydrophobicContact CE1-CB 4.25Å; Y85-E149 HydrophobicContact CE1-CG 3.86Å; Y85-E149 HydrophobicContact CE2-CG 3.63Å; Y85-E149 VanDerWaalsContact CZ-CG 3.42Å
86	L	90.5	Very high	88.7	Confident	39 Å²	39	67 Å²	67	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-42.4	173.7	-77.3	169.2	0	0	0	112.1	V75 E82 T83 I89 A90 L150 Y204	V75-L86 HydrophobicContact CG2-CD1 4.12Å; E82-L86 WeakPolarHBondContact O-CG 3.49Å; E82-L86 PolarHBondContact O-N 2.76Å; T83-L86 PolarHBondContact O-N 3.32Å; L86-I89 PolarHBondContact O-N 3.29Å; L86-A90 WeakPolarHBondContact O-CB 3.22Å; L86-A90 PolarHBondContact O-N 3.06Å; L86-L150 HydrophobicContact CD2-CD2 3.52Å; L86-L150 HydrophobicContact CG-CD1 4.27Å; L86-L150 HydrophobicContact CG-CD2 4.03Å; L86-Y204 HydrophobicContact CD2-CD1 4.03Å; L86-Y204 HydrophobicContact CD2-CE1 3.71Å; L86-Y204 PolarHBondContact O-OH 2.8Å
87	L	90.3	Very high	89	Confident	116 Å²	116	63.7 Å²	63.7	61%	0.607	33%	0.334	S	S	*	.	H	α-helix	trans	-67.7	-40.6	175.1	-72.3	173.2	0	0	0	111.8	T83 A84 Y85 A90 S91	T83-L87 HydrophobicContact CG2-CD1 4.27Å; T83-L87 HydrophobicContact CG2-CG 4.41Å; T83-L87 WeakPolarHBondContact O-CB 3.35Å; T83-L87 WeakPolarHBondContact O-CG 3.39Å; T83-L87 PolarHBondContact O-N 3.05Å; A84-L87 PolarHBondContact O-N 3.08Å; Y85-L87 VanDerWaalsContact C-N 3.34Å; Y85-L87 PolarHBondContact O-N 3.08Å; L87-A90 PolarHBondContact O-N 2.71Å; L87-S91 WeakPolarHBondContact O-CB 3.45Å; L87-S91 PolarHBondContact O-N 3.47Å; L87-S91 PolarHBondContact O-OG 2.66Å
88	L	90.9	Very high	89	Confident	59 Å²	59	62.3 Å²	62.3	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-60.6	-44.6	173.1	179.7	68.9	0	0	0	111.1	A84 Y85 S91 M92	A84-L88 WeakPolarHBondContact O-CB 3.48Å; A84-L88 PolarHBondContact O-N 2.9Å; Y85-L88 HydrophobicContact CD1-CD2 4.07Å; Y85-L88 HydrophobicContact CE1-CD2 4.38Å; Y85-L88 PolarHBondContact O-N 2.72Å; L88-S91 PolarHBondContact O-N 2.75Å; L88-S91 PolarHBondContact O-OG 3.18Å; L88-M92 HydrophobicContact CD1-CE 4.37Å; L88-M92 HydrophobicContact CD1-CG 4.27Å; L88-M92 HydrophobicContact CG-CG 4.41Å; L88-M92 WeakPolarHBondContact O-CB 3.32Å; L88-M92 WeakPolarHBondContact O-CG 3.4Å; L88-M92 PolarHBondContact O-N 3.35Å
89	I	91.3	Very high	89.5	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-45.3	176.1	-68.8	158	0	0	0	109.8	Y85 L86 S91 M92 L93 L143 L147 L150 Y204	Y85-I89 WeakPolarHBondContact O-CB 3.3Å; Y85-I89 WeakPolarHBondContact O-CD1 3.41Å; Y85-I89 WeakPolarHBondContact O-CG1 3.39Å; Y85-I89 PolarHBondContact O-N 3.42Å; L86-I89 PolarHBondContact O-N 3.29Å; I89-S91 VanDerWaalsContact C-N 3.35Å; I89-S91 PolarHBondContact O-N 3.1Å; I89-M92 PolarHBondContact O-N 2.85Å; I89-L93 HydrophobicContact CG2-CD1 4.13Å; I89-L93 HydrophobicContact CG2-CG 4.24Å; I89-L93 WeakPolarHBondContact O-CB 3.46Å; I89-L93 VanDerWaalsContact O-CG 3.25Å; I89-L93 WeakPolarHBondContact O-CG 3.44Å; I89-L93 PolarHBondContact O-N 2.81Å; I89-L143 HydrophobicContact CG2-CD1 3.84Å; I89-L147 HydrophobicContact CD1-CD2 3.91Å; I89-L147 HydrophobicContact CD1-CG 4.4Å; I89-L147 HydrophobicContact CG1-CD2 4.29Å; I89-L147 HydrophobicContact CG1-CG 4.45Å; I89-L147 HydrophobicContact CG2-CD2 4.06Å; I89-L150 HydrophobicContact CD1-CB 4.16Å; I89-L150 HydrophobicContact CD1-CD2 3.57Å; I89-L150 HydrophobicContact CD1-CG 4.48Å; I89-Y204 HydrophobicContact CB-CE1 4.06Å; I89-Y204 HydrophobicContact CG2-CD1 4.15Å; I89-Y204 HydrophobicContact CG2-CE1 3.53Å
90	A	90.5	Very high	89.7	Confident	34 Å²	34	49.7 Å²	49.7	28%	0.281	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-45.5	177.7	0	0	0	0	0	111.7	L86 L87 L93 V94	L86-A90 WeakPolarHBondContact O-CB 3.22Å; L86-A90 PolarHBondContact O-N 3.06Å; L87-A90 PolarHBondContact O-N 2.71Å; A90-L93 PolarHBondContact O-N 2.87Å; A90-V94 WeakPolarHBondContact O-CG2 3.13Å; A90-V94 PolarHBondContact O-N 3.45Å; A90-V94 VanDerWaalsContact O-N 3.11Å
91	S	91.4	Very high	89.5	Confident	60 Å²	60	49.1 Å²	49.1	42%	0.42	26%	0.264	S	S	.	.	H	α-helix	trans	-66.6	-42.2	178.3	71.2	0	0	0	0	112.1	L87 L88 I89 L93 V94 A95	L87-S91 WeakPolarHBondContact O-CB 3.45Å; L87-S91 PolarHBondContact O-N 3.47Å; L87-S91 PolarHBondContact O-OG 2.66Å; L88-S91 PolarHBondContact O-N 2.75Å; L88-S91 PolarHBondContact O-OG 3.18Å; I89-S91 VanDerWaalsContact C-N 3.35Å; I89-S91 PolarHBondContact O-N 3.1Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 2.98Å; S91-V94 PolarHBondContact O-N 3.44Å; S91-A95 WeakPolarHBondContact O-CB 3.37Å; S91-A95 PolarHBondContact O-N 2.95Å
92	M	92.4	Very high	89.6	Confident	39 Å²	39	45.3 Å²	45.3	19%	0.192	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-33.3	175.4	-70.4	-59.2	108.5	0	0	112.3	L88 I89 R96 V139 F142 L143	L88-M92 HydrophobicContact CD1-CE 4.37Å; L88-M92 HydrophobicContact CD1-CG 4.27Å; L88-M92 HydrophobicContact CG-CG 4.41Å; L88-M92 WeakPolarHBondContact O-CB 3.32Å; L88-M92 WeakPolarHBondContact O-CG 3.4Å; L88-M92 PolarHBondContact O-N 3.35Å; I89-M92 PolarHBondContact O-N 2.85Å; M92-R96 WeakPolarHBondContact O-CB 3.18Å; M92-R96 PolarHBondContact O-N 2.94Å; M92-V139 HydrophobicContact SD-CG1 4.29Å; M92-F142 HydrophobicContact CG-CB 4.3Å; M92-F142 HydrophobicContact SD-CB 3.93Å; M92-L143 HydrophobicContact CB-CB 4.16Å; M92-L143 HydrophobicContact CB-CD1 4.06Å
93	L	89.7	Confident	89.5	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-44.5	173.4	-77.1	-179.2	0	0	0	111.4	I89 A90 S91 R96 T97 L143 K209	I89-L93 HydrophobicContact CG2-CD1 4.13Å; I89-L93 HydrophobicContact CG2-CG 4.24Å; I89-L93 WeakPolarHBondContact O-CB 3.46Å; I89-L93 VanDerWaalsContact O-CG 3.25Å; I89-L93 WeakPolarHBondContact O-CG 3.44Å; I89-L93 PolarHBondContact O-N 2.81Å; A90-L93 PolarHBondContact O-N 2.87Å; S91-L93 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 2.98Å; L93-R96 PolarHBondContact O-N 3.33Å; L93-T97 PolarHBondContact O-N 3.48Å; L93-T97 PolarHBondContact O-OG1 3.02Å; L93-L143 HydrophobicContact CD2-CD1 3.76Å; L93-L143 HydrophobicContact CD2-CD2 3.74Å; L93-L143 HydrophobicContact CD2-CG 4.41Å; L93-L143 HydrophobicContact CG-CD1 3.91Å; L93-K209 HydrophobicContact CD2-CB 3.82Å; L93-K209 HydrophobicContact CD2-CD 4.33Å; L93-K209 HydrophobicContact CD2-CG 4.36Å
94	V	89.3	Confident	89.2	Confident	83 Å²	83	47.1 Å²	47.1	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-49.1	175.9	175.5	0	0	0	0	111.3	A90 S91 R96 T97 Y98 L212	A90-V94 WeakPolarHBondContact O-CG2 3.13Å; A90-V94 PolarHBondContact O-N 3.45Å; A90-V94 VanDerWaalsContact O-N 3.11Å; S91-V94 PolarHBondContact O-N 3.44Å; V94-R96 VanDerWaalsContact C-N 3.26Å; V94-R96 PolarHBondContact O-N 3.03Å; V94-T97 PolarHBondContact O-N 3.33Å; V94-Y98 PolarHBondContact O-N 2.93Å; V94-L212 HydrophobicContact CB-CD2 4.31Å; V94-L212 HydrophobicContact CG2-CD2 3.82Å
95	A	91.2	Very high	89	Confident	34 Å²	34	48 Å²	48	28%	0.281	25%	0.246	S	C	.	.	H	α-helix	trans	-56.8	-42.5	175.9	0	0	0	0	0	111.3	S91 Y98 C99 V139	S91-A95 WeakPolarHBondContact O-CB 3.37Å; S91-A95 PolarHBondContact O-N 2.95Å; A95-Y98 PolarHBondContact O-N 3.4Å; A95-C99 PolarHBondContact O-N 2.75Å; A95-C99 PolarHBondContact O-SG 2.72Å; A95-V139 HydrophobicContact CB-CG1 4.05Å; A95-V139 HydrophobicContact CB-CG2 4.46Å
96	R	88.9	Confident	88.8	Confident	69 Å²	69	45.8 Å²	45.8	26%	0.26	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-44.7	177.5	-175.1	178.7	-175.7	179.7	12.3	112.3	M92 L93 V94 Y98 C99 D100 V139 N140	M92-R96 WeakPolarHBondContact O-CB 3.18Å; M92-R96 PolarHBondContact O-N 2.94Å; L93-R96 PolarHBondContact O-N 3.33Å; V94-R96 VanDerWaalsContact C-N 3.26Å; V94-R96 PolarHBondContact O-N 3.03Å; R96-Y98 VanDerWaalsContact C-N 3.3Å; R96-Y98 PolarHBondContact O-N 2.84Å; R96-C99 WeakPolarHBondContact O-CB 3.03Å; R96-C99 PolarHBondContact O-N 3.44Å; R96-D100 PolarHBondContact O-N 3.06Å; R96-V139 HydrophobicContact CB-CG1 3.92Å; R96-N140 WeakPolarHBondContact CD-OD1 3.39Å; R96-N140 PolarHBondContact NE-OD1 3.05Å; R96-N140 PolarHBondContact NH2-OD1 3.42Å
97	T	87	Confident	88.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-36.8	178	-62.6	0	0	0	0	111.1	L93 V94 D100 V101 L212 D213 L216	L93-T97 PolarHBondContact O-N 3.48Å; L93-T97 PolarHBondContact O-OG1 3.02Å; V94-T97 PolarHBondContact O-N 3.33Å; T97-D100 PolarHBondContact O-N 3.33Å; T97-V101 VanDerWaalsContact O-CG2 3.32Å; T97-V101 WeakPolarHBondContact O-CG2 3.47Å; T97-V101 PolarHBondContact O-N 3Å; T97-L212 HydrophobicContact CG2-CD2 4.45Å; T97-D213 WeakPolarHBondContact CG2-OD1 3.04Å; T97-D213 PolarHBondContact OG1-OD1 3.4Å; T97-L216 HydrophobicContact CG2-CD1 3.46Å; T97-L216 VanDerWaalsContact CG2-CD1 3.46Å
98	Y	87.5	Confident	88.4	Confident	166 Å²	166	39.5 Å²	39.5	65%	0.651	21%	0.209	S	C	*	.	H	α-helix	trans	-63.5	-45.2	172.5	-170.6	-95.4	0	0	0	112.2	V94 A95 R96 D100 V101 W102	V94-Y98 PolarHBondContact O-N 2.93Å; A95-Y98 PolarHBondContact O-N 3.4Å; R96-Y98 VanDerWaalsContact C-N 3.3Å; R96-Y98 PolarHBondContact O-N 2.84Å; Y98-D100 VanDerWaalsContact C-N 3.31Å; Y98-D100 PolarHBondContact O-N 2.8Å; Y98-V101 PolarHBondContact O-N 2.88Å; Y98-W102 WeakPolarHBondContact O-CB 3.44Å; Y98-W102 PolarHBondContact O-N 2.61Å
99	C	89	Confident	88.1	Confident	20 Å²	20	40 Å²	40	14%	0.135	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-42.4	172.7	-71.5	0	0	0	0	112.2	A95 R96 W102 M103 I136	A95-C99 PolarHBondContact O-N 2.75Å; A95-C99 PolarHBondContact O-SG 2.72Å; R96-C99 WeakPolarHBondContact O-CB 3.03Å; R96-C99 PolarHBondContact O-N 3.44Å; C99-W102 PolarHBondContact O-N 3.39Å; C99-M103 VanDerWaalsContact O-CB 3.23Å; C99-M103 WeakPolarHBondContact O-CB 3.29Å; C99-M103 PolarHBondContact O-N 3.37Å; C99-I136 HydrophobicContact CB-CG1 4.04Å; C99-I136 HydrophobicContact CB-CG2 4.46Å
100	D	86.4	Confident	87.9	Confident	27 Å²	27	41 Å²	41	14%	0.144	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-41	178.3	-74.1	-23.2	0	0	0	111.1	R96 T97 Y98 I104 K209	R96-D100 PolarHBondContact O-N 3.06Å; T97-D100 PolarHBondContact O-N 3.33Å; Y98-D100 VanDerWaalsContact C-N 3.31Å; Y98-D100 PolarHBondContact O-N 2.8Å; D100-I104 VanDerWaalsContact O-CG1 3.29Å; D100-I104 WeakPolarHBondContact O-CG1 3.5Å; D100-I104 PolarHBondContact O-N 3.05Å; D100-I104 VanDerWaalsContact O-N 3.11Å; D100-K209 IonicContact OD2-NZ 2.85Å; D100-K209 PolarHBondContact OD2-NZ 3.22Å
101	V	84.4	Confident	87.6	Confident	10 Å²	10	42.6 Å²	42.6	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-46.3	175.7	169.7	0	0	0	0	111.5	T97 Y98 M103 I104 Q105 Y217	T97-V101 VanDerWaalsContact O-CG2 3.32Å; T97-V101 WeakPolarHBondContact O-CG2 3.47Å; T97-V101 PolarHBondContact O-N 3Å; Y98-V101 PolarHBondContact O-N 2.88Å; V101-M103 VanDerWaalsContact C-N 3.31Å; V101-M103 PolarHBondContact O-N 3.46Å; V101-I104 PolarHBondContact O-N 3.22Å; V101-Q105 WeakPolarHBondContact O-CG 3.46Å; V101-Q105 PolarHBondContact O-N 3.45Å; V101-Y217 HydrophobicContact CG2-CE1 4.03Å
102	W	88.7	Confident	87.1	Confident	50 Å²	50	41.6 Å²	41.6	19%	0.189	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-41.2	177.2	-178.9	88.2	0	0	0	111.4	Y98 C99 I104 Q105 N106 F129 F132 I136	Y98-W102 WeakPolarHBondContact O-CB 3.44Å; Y98-W102 PolarHBondContact O-N 2.61Å; C99-W102 PolarHBondContact O-N 3.39Å; W102-I104 VanDerWaalsContact C-N 3.31Å; W102-I104 PolarHBondContact O-N 3.42Å; W102-Q105 PolarHBondContact O-N 3.28Å; W102-N106 HydrophobicContact CD2-CB 4.45Å; W102-N106 HydrophobicContact CE3-CB 4.48Å; W102-N106 HydrophobicContact CH2-CB 4.2Å; W102-N106 HydrophobicContact CZ2-CB 4.17Å; W102-N106 HydrophobicContact CZ3-CB 4.36Å; W102-N106 WeakPolarHBondContact O-CB 3.34Å; W102-N106 PolarHBondContact O-N 3.48Å; W102-F129 HydrophobicContact CZ3-CD2 4.43Å; W102-F132 HydrophobicContact CE3-CB 4.43Å; W102-F132 HydrophobicContact CH2-CB 3.48Å; W102-F132 VanDerWaalsContact CH2-CB 3.48Å; W102-F132 AromaticContact CH2-CD2 3.48Å; W102-F132 HydrophobicContact CH2-CD2 3.48Å; W102-F132 VanDerWaalsContact CH2-CD2 3.48Å; W102-F132 HydrophobicContact CH2-CE2 4.4Å; W102-F132 AromaticContact CH2-CG 3.65Å; W102-F132 HydrophobicContact CH2-CG 3.65Å; W102-F132 HydrophobicContact CZ2-CB 4.23Å; W102-F132 AromaticContact CZ2-CD2 3.43Å; W102-F132 HydrophobicContact CZ2-CD2 3.43Å; W102-F132 VanDerWaalsContact CZ2-CD2 3.43Å; W102-F132 AromaticContact CZ2-CE2 3.91Å; W102-F132 HydrophobicContact CZ2-CE2 3.91Å; W102-F132 AromaticContact CZ2-CG 3.88Å; W102-F132 HydrophobicContact CZ2-CG 3.88Å; W102-F132 HydrophobicContact CZ3-CB 3.6Å; W102-F132 HydrophobicContact CZ3-CD2 4.38Å; W102-F132 HydrophobicContact CZ3-CG 4.11Å; W102-I136 HydrophobicContact CE3-CD1 4.37Å; W102-I136 HydrophobicContact CZ3-CD1 4.37Å
103	M	88.1	Confident	86.8	Confident	53 Å²	53	40.1 Å²	40.1	26%	0.261	20%	0.204	S	C	.	.	H	α-helix	trans	-60.7	-39.6	175.6	-174.6	-174.8	62.6	0	0	111.8	C99 V101 G107 F129	C99-M103 VanDerWaalsContact O-CB 3.23Å; C99-M103 WeakPolarHBondContact O-CB 3.29Å; C99-M103 PolarHBondContact O-N 3.37Å; V101-M103 VanDerWaalsContact C-N 3.31Å; V101-M103 PolarHBondContact O-N 3.46Å; M103-G107 PolarHBondContact O-N 3.06Å; M103-F129 HydrophobicContact CG-CE2 3.79Å; M103-F129 HydrophobicContact CG-CZ 4.23Å
104	I	84.4	Confident	86.6	Confident	12 Å²	12	44.6 Å²	44.6	6%	0.062	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-47.6	175	-67.8	163.1	0	0	0	110.4	D100 V101 W102 G107 T108 R362 R366	D100-I104 VanDerWaalsContact O-CG1 3.29Å; D100-I104 WeakPolarHBondContact O-CG1 3.5Å; D100-I104 PolarHBondContact O-N 3.05Å; D100-I104 VanDerWaalsContact O-N 3.11Å; V101-I104 PolarHBondContact O-N 3.22Å; W102-I104 VanDerWaalsContact C-N 3.31Å; W102-I104 PolarHBondContact O-N 3.42Å; I104-G107 PolarHBondContact O-N 2.97Å; I104-T108 PolarHBondContact O-N 3.06Å; I104-T108 PolarHBondContact O-OG1 2.77Å; I104-T108 VanDerWaalsContact O-OG1 3.11Å; I104-R362 HydrophobicContact CG2-CB 4.3Å; I104-R366 HydrophobicContact CD1-CG 4.05Å
105	Q	84.6	Confident	86.4	Confident	72 Å²	72	46.4 Å²	46.4	34%	0.336	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-53.4	-179.2	-71.8	178	-36.5	0	0	111.7	V101 W102 G107 T108 M109	V101-Q105 WeakPolarHBondContact O-CG 3.46Å; V101-Q105 PolarHBondContact O-N 3.45Å; W102-Q105 PolarHBondContact O-N 3.28Å; Q105-G107 VanDerWaalsContact C-N 3.27Å; Q105-G107 PolarHBondContact O-N 3Å; Q105-T108 PolarHBondContact O-N 3.46Å; Q105-M109 WeakPolarHBondContact O-CG 2.96Å; Q105-M109 PolarHBondContact O-N 3.48Å
106	N	87.6	Confident	85.9	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-34.5	179.1	-165.8	86.6	0	0	0	111.6	W102 M109 I110 F125	W102-N106 HydrophobicContact CD2-CB 4.45Å; W102-N106 HydrophobicContact CE3-CB 4.48Å; W102-N106 HydrophobicContact CH2-CB 4.2Å; W102-N106 HydrophobicContact CZ2-CB 4.17Å; W102-N106 HydrophobicContact CZ3-CB 4.36Å; W102-N106 WeakPolarHBondContact O-CB 3.34Å; W102-N106 PolarHBondContact O-N 3.48Å; N106-M109 PolarHBondContact O-N 3.43Å; N106-I110 VanDerWaalsContact O-CG1 3.29Å; N106-I110 WeakPolarHBondContact O-CG1 3.41Å; N106-I110 PolarHBondContact O-N 2.91Å; N106-F125 PolarHBondContact ND2-O 3.2Å
107	G	88.1	Confident	85.6	Confident	14 Å²	14	55.1 Å²	55.1	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-43.8	172.9	0	0	0	0	0	113.1	M103 I104 Q105 M109 I110 E111	M103-G107 PolarHBondContact O-N 3.06Å; I104-G107 PolarHBondContact O-N 2.97Å; Q105-G107 VanDerWaalsContact C-N 3.27Å; Q105-G107 PolarHBondContact O-N 3Å; G107-M109 VanDerWaalsContact C-N 3.34Å; G107-I110 PolarHBondContact O-N 3.43Å; G107-E111 WeakPolarHBondContact O-CG 3.45Å; G107-E111 PolarHBondContact O-N 2.75Å; G107-E111 VanDerWaalsContact O-N 3.13Å
108	T	84.9	Confident	85.7	Confident	8 Å²	8	56.8 Å²	56.8	5%	0.049	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-38.1	174.4	-61.8	0	0	0	0	111.7	I104 Q105 E111 S112 E355	I104-T108 PolarHBondContact O-N 3.06Å; I104-T108 PolarHBondContact O-OG1 2.77Å; I104-T108 VanDerWaalsContact O-OG1 3.11Å; Q105-T108 PolarHBondContact O-N 3.46Å; T108-E111 WeakPolarHBondContact O-CB 3.46Å; T108-E111 PolarHBondContact O-N 3.42Å; T108-S112 PolarHBondContact O-N 2.9Å; T108-S112 PolarHBondContact O-OG 3.03Å; T108-E355 HydrophobicContact CG2-CG 4.03Å
109	M	84.4	Confident	85.8	Confident	71 Å²	71	53.7 Å²	53.7	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-35.5	176.3	-64.6	-60.2	-110.1	0	0	113.1	Q105 N106 G107 E111 S112 A113 F125	Q105-M109 WeakPolarHBondContact O-CG 2.96Å; Q105-M109 PolarHBondContact O-N 3.48Å; N106-M109 PolarHBondContact O-N 3.43Å; G107-M109 VanDerWaalsContact C-N 3.34Å; M109-E111 VanDerWaalsContact C-N 3.33Å; M109-S112 WeakPolarHBondContact CA-OG 3.32Å; M109-S112 PolarHBondContact O-OG 3.36Å; M109-A113 WeakPolarHBondContact O-CB 3.32Å; M109-A113 PolarHBondContact O-N 3.16Å; M109-F125 HydrophobicContact CB-CD1 4.06Å; M109-F125 HydrophobicContact CB-CD2 3.8Å; M109-F125 HydrophobicContact CB-CE1 4.08Å; M109-F125 HydrophobicContact CB-CE2 3.81Å; M109-F125 HydrophobicContact CB-CG 3.94Å; M109-F125 HydrophobicContact CB-CZ 3.97Å; M109-F125 HydrophobicContact CE-CZ 4.05Å; M109-F125 HydrophobicContact CG-CE1 4.45Å; M109-F125 HydrophobicContact CG-CZ 4.39Å; M109-F125 WeakPolarHBondContact O-CD2 3.35Å
110	I	87.8	Confident	85.8	Confident	22 Å²	22	60.4 Å²	60.4	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-62.4	-45.1	171.7	-68	166.1	0	0	0	109.7	N106 G107 A113 I114 F122 F125 F129	N106-I110 VanDerWaalsContact O-CG1 3.29Å; N106-I110 WeakPolarHBondContact O-CG1 3.41Å; N106-I110 PolarHBondContact O-N 2.91Å; G107-I110 PolarHBondContact O-N 3.43Å; I110-A113 PolarHBondContact O-N 3.48Å; I110-I114 HydrophobicContact CG2-CD1 4.07Å; I110-I114 VanDerWaalsContact O-CG1 3.26Å; I110-I114 WeakPolarHBondContact O-CG1 3.45Å; I110-I114 PolarHBondContact O-N 3.25Å; I110-I114 VanDerWaalsContact O-N 3.1Å; I110-F122 HydrophobicContact CG2-CD2 3.96Å; I110-F122 HydrophobicContact CG2-CE2 3.81Å; I110-F125 HydrophobicContact CD1-CB 4.47Å; I110-F125 HydrophobicContact CG1-CB 3.52Å; I110-F129 HydrophobicContact CD1-CB 4.2Å; I110-F129 HydrophobicContact CD1-CD2 4.45Å; I110-F129 HydrophobicContact CD1-CG 4.48Å
111	E	84	Confident	85.9	Confident	67 Å²	67	62.5 Å²	62.5	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-42.7	178.8	-71.3	166.8	-157.9	0	0	112.2	G107 T108 M109 I114 I115 R362	G107-E111 WeakPolarHBondContact O-CG 3.45Å; G107-E111 PolarHBondContact O-N 2.75Å; G107-E111 VanDerWaalsContact O-N 3.13Å; T108-E111 WeakPolarHBondContact O-CB 3.46Å; T108-E111 PolarHBondContact O-N 3.42Å; M109-E111 VanDerWaalsContact C-N 3.33Å; E111-I114 WeakPolarHBondContact O-CB 3.22Å; E111-I114 PolarHBondContact O-N 3.45Å; E111-I115 WeakPolarHBondContact O-CG1 3.04Å; E111-I115 PolarHBondContact O-N 3.06Å; E111-R362 IonicContact OE1-CZ 2.8Å; E111-R362 IonicContact OE1-NH1 3.04Å; E111-R362 PolarHBondContact OE1-NH1 3.42Å; E111-R362 IonicContact OE1-NH2 2.76Å; E111-R362 PolarHBondContact OE1-NH2 3.38Å; E111-R362 IonicContact OE2-CZ 3.64Å; E111-R362 IonicContact OE2-NH1 2.97Å; E111-R362 PolarHBondContact OE2-NH1 2.92Å; E111-R362 IonicContact OE2-NH2 3.24Å; E111-R362 PolarHBondContact OE2-NH2 2.94Å
112	S	81.7	Confident	86.2	Confident	38 Å²	38	65.3 Å²	65.3	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-38.2	177	69	0	0	0	0	111.9	T108 M109 I114 I115 G116	T108-S112 PolarHBondContact O-N 2.9Å; T108-S112 PolarHBondContact O-OG 3.03Å; M109-S112 WeakPolarHBondContact CA-OG 3.32Å; M109-S112 PolarHBondContact O-OG 3.36Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 3.46Å; S112-I115 PolarHBondContact O-N 3.3Å; S112-G116 PolarHBondContact O-N 2.9Å
113	A	85.1	Confident	86.4	Confident	8 Å²	8	69 Å²	69	7%	0.066	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-35.8	174.2	0	0	0	0	0	113	M109 I110 R117 S118 D121 F122 F125	M109-A113 WeakPolarHBondContact O-CB 3.32Å; M109-A113 PolarHBondContact O-N 3.16Å; I110-A113 PolarHBondContact O-N 3.48Å; A113-R117 PolarHBondContact O-N 3.43Å; A113-R117 VanDerWaalsContact O-N 3.1Å; A113-S118 PolarHBondContact O-N 2.93Å; A113-D121 HydrophobicContact CB-CB 3.95Å; A113-F122 HydrophobicContact CB-CB 4.14Å; A113-F125 HydrophobicContact CB-CD2 4.29Å
114	I	86.2	Confident	86.6	Confident	100 Å²	100	71.6 Å²	71.6	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-47.4	173.4	-67.5	163.5	0	0	0	110.1	I110 E111 S112 R117 F122	I110-I114 HydrophobicContact CG2-CD1 4.07Å; I110-I114 VanDerWaalsContact O-CG1 3.26Å; I110-I114 WeakPolarHBondContact O-CG1 3.45Å; I110-I114 PolarHBondContact O-N 3.25Å; I110-I114 VanDerWaalsContact O-N 3.1Å; E111-I114 WeakPolarHBondContact O-CB 3.22Å; E111-I114 PolarHBondContact O-N 3.45Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 3.46Å; I114-R117 PolarHBondContact O-N 3.3Å; I114-F122 HydrophobicContact CD1-CD2 4.21Å; I114-F122 HydrophobicContact CD1-CE2 3.97Å; I114-F122 HydrophobicContact CG1-CD2 3.74Å; I114-F122 HydrophobicContact CG1-CE2 3.94Å
115	I	84	Confident	86.9	Confident	121 Å²	121	73.2 Å²	73.2	62%	0.621	37%	0.374	S	S	*	.	H	α-helix	trans	-64.4	-43	179.2	-66.3	166.2	0	0	0	110.7	E111 S112 R117	E111-I115 WeakPolarHBondContact O-CG1 3.04Å; E111-I115 PolarHBondContact O-N 3.06Å; S112-I115 PolarHBondContact O-N 3.3Å; I115-R117 PolarHBondContact O-N 3.45Å
116	G	82	Confident	87.3	Confident	58 Å²	58	72.7 Å²	72.7	60%	0.598	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-0.7	176.8	0	0	0	0	0	114.7	S112 S118	S112-G116 PolarHBondContact O-N 2.9Å; G116-S118 PolarHBondContact O-N 3.19Å; G116-S118 VanDerWaalsContact O-N 3.1Å
117	R	82.8	Confident	87.6	Confident	228 Å²	228	78.7 Å²	78.7	86%	0.86	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	25.4	-178.9	-59.8	-177.4	174.3	-178	-1.7	114.4	A113 I114 I115 T119	A113-R117 PolarHBondContact O-N 3.43Å; A113-R117 VanDerWaalsContact O-N 3.1Å; I114-R117 PolarHBondContact O-N 3.3Å; I115-R117 PolarHBondContact O-N 3.45Å; R117-T119 PolarHBondContact O-N 3.34Å
118	S	88.5	Confident	87.8	Confident	34 Å²	34	79.7 Å²	79.7	24%	0.238	40%	0.403	C	S	.	.			trans	-88.2	103.4	178.2	-179.3	0	0	0	0	110.7	A113 G116 K120 D121 F122	A113-S118 PolarHBondContact O-N 2.93Å; G116-S118 PolarHBondContact O-N 3.19Å; G116-S118 VanDerWaalsContact O-N 3.1Å; S118-K120 VanDerWaalsContact C-N 3.26Å; S118-K120 PolarHBondContact O-N 2.99Å; S118-D121 VanDerWaalsContact CB-OD2 3.22Å; S118-D121 WeakPolarHBondContact CB-OD2 3.44Å; S118-D121 PolarHBondContact OG-N 3.33Å; S118-D121 PolarHBondContact OG-OD2 2.68Å; S118-F122 WeakPolarHBondContact O-CB 3.48Å; S118-F122 PolarHBondContact O-N 3.01Å; S118-F122 VanDerWaalsContact O-N 3.16Å
119	T	88.1	Confident	88.1	Confident	102 Å²	102	82.3 Å²	82.3	63%	0.626	41%	0.414	S	S	*	.	H	α-helix	trans	-69.1	-24.8	179.3	57.6	0	0	0	0	113.1	R117 K123	R117-T119 PolarHBondContact O-N 3.34Å; T119-K123 WeakPolarHBondContact O-CG 3.48Å; T119-K123 PolarHBondContact O-N 3.39Å
120	K	90.9	Very high	88.6	Confident	161 Å²	161	83.5 Å²	83.5	70%	0.7	42%	0.421	S	S	*	.	H	α-helix	trans	-73.5	-51.5	177.8	-68.7	-177.6	-179.2	177.4	0	110.7	S118 F122 K123 I124	S118-K120 VanDerWaalsContact C-N 3.26Å; S118-K120 PolarHBondContact O-N 2.99Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-F122 PolarHBondContact O-N 3.11Å; K120-K123 PolarHBondContact O-N 3Å; K120-I124 WeakPolarHBondContact O-CG1 3.31Å; K120-I124 PolarHBondContact O-N 2.96Å; K120-I124 VanDerWaalsContact O-N 3.1Å
121	D	86.8	Confident	88.8	Confident	71 Å²	71	90.4 Å²	90.4	38%	0.38	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-38.9	-178.1	-58.2	-35	0	0	0	111.2	A113 S118 K123 I124 F125	A113-D121 HydrophobicContact CB-CB 3.95Å; S118-D121 VanDerWaalsContact CB-OD2 3.22Å; S118-D121 WeakPolarHBondContact CB-OD2 3.44Å; S118-D121 PolarHBondContact OG-N 3.33Å; S118-D121 PolarHBondContact OG-OD2 2.68Å; D121-K123 PolarHBondContact O-N 3.08Å; D121-I124 PolarHBondContact O-N 2.86Å; D121-F125 HydrophobicContact CB-CD2 4.28Å; D121-F125 HydrophobicContact CB-CE2 3.91Å; D121-F125 WeakPolarHBondContact O-CD2 3.36Å; D121-F125 WeakPolarHBondContact O-CG 3.47Å; D121-F125 PolarHBondContact O-N 3.43Å
122	F	92.1	Very high	89.2	Confident	69 Å²	69	91.5 Å²	91.5	30%	0.303	45%	0.454	S	S	.	.	H	α-helix	trans	-56.3	-48	173.7	174	-104.3	0	0	0	112.4	I110 A113 I114 S118 K120 L126	I110-F122 HydrophobicContact CG2-CD2 3.96Å; I110-F122 HydrophobicContact CG2-CE2 3.81Å; A113-F122 HydrophobicContact CB-CB 4.14Å; I114-F122 HydrophobicContact CD1-CD2 4.21Å; I114-F122 HydrophobicContact CD1-CE2 3.97Å; I114-F122 HydrophobicContact CG1-CD2 3.74Å; I114-F122 HydrophobicContact CG1-CE2 3.94Å; S118-F122 WeakPolarHBondContact O-CB 3.48Å; S118-F122 PolarHBondContact O-N 3.01Å; S118-F122 VanDerWaalsContact O-N 3.16Å; K120-F122 VanDerWaalsContact C-N 3.33Å; K120-F122 PolarHBondContact O-N 3.11Å; F122-L126 HydrophobicContact CE1-CD2 3.97Å; F122-L126 HydrophobicContact CZ-CD2 3.89Å; F122-L126 WeakPolarHBondContact O-CB 3.4Å; F122-L126 PolarHBondContact O-N 2.81Å
123	K	92.4	Very high	89.7	Confident	128 Å²	128	95.5 Å²	95.5	56%	0.557	47%	0.47	S	S	*	.	H	α-helix	trans	-62.7	-44.1	178.3	-75.3	178.2	-177.7	-177.9	0	111.3	T119 K120 D121 L126 F127	T119-K123 WeakPolarHBondContact O-CG 3.48Å; T119-K123 PolarHBondContact O-N 3.39Å; K120-K123 PolarHBondContact O-N 3Å; D121-K123 PolarHBondContact O-N 3.08Å; K123-L126 PolarHBondContact O-N 2.94Å; K123-F127 HydrophobicContact CB-CD2 4.43Å; K123-F127 WeakPolarHBondContact O-CB 3.47Å; K123-F127 WeakPolarHBondContact O-CD2 3.44Å; K123-F127 PolarHBondContact O-N 2.77Å
124	I	92.4	Very high	90.2	Very high	106 Å²	106	99.2 Å²	99.2	54%	0.544	49%	0.493	S	S	.	.	H	α-helix	trans	-59.6	-52	179.8	-68	167.8	0	0	0	110.7	K120 D121 L126 S128	K120-I124 WeakPolarHBondContact O-CG1 3.31Å; K120-I124 PolarHBondContact O-N 2.96Å; K120-I124 VanDerWaalsContact O-N 3.1Å; D121-I124 PolarHBondContact O-N 2.86Å; I124-L126 PolarHBondContact O-N 3.1Å; I124-S128 VanDerWaalsContact O-CB 3.29Å; I124-S128 WeakPolarHBondContact O-CB 3.14Å; I124-S128 PolarHBondContact O-N 2.97Å
125	F	91.4	Very high	90.5	Very high	47 Å²	47	97.9 Å²	97.9	21%	0.206	49%	0.49	C	S	.	.	H	α-helix	trans	-69.1	-33.7	-178.1	-61.3	-50.3	0	0	0	112.9	N106 M109 I110 A113 D121 F129	N106-F125 PolarHBondContact ND2-O 3.2Å; M109-F125 HydrophobicContact CB-CD1 4.06Å; M109-F125 HydrophobicContact CB-CD2 3.8Å; M109-F125 HydrophobicContact CB-CE1 4.08Å; M109-F125 HydrophobicContact CB-CE2 3.81Å; M109-F125 HydrophobicContact CB-CG 3.94Å; M109-F125 HydrophobicContact CB-CZ 3.97Å; M109-F125 HydrophobicContact CE-CZ 4.05Å; M109-F125 HydrophobicContact CG-CE1 4.45Å; M109-F125 HydrophobicContact CG-CZ 4.39Å; M109-F125 WeakPolarHBondContact O-CD2 3.35Å; I110-F125 HydrophobicContact CD1-CB 4.47Å; I110-F125 HydrophobicContact CG1-CB 3.52Å; A113-F125 HydrophobicContact CB-CD2 4.29Å; D121-F125 HydrophobicContact CB-CD2 4.28Å; D121-F125 HydrophobicContact CB-CE2 3.91Å; D121-F125 WeakPolarHBondContact O-CD2 3.36Å; D121-F125 WeakPolarHBondContact O-CG 3.47Å; D121-F125 PolarHBondContact O-N 3.43Å; F125-F129 PolarHBondContact O-N 2.83Å
126	L	92.7	Very high	90.8	Very high	61 Å²	61	93.2 Å²	93.2	32%	0.319	47%	0.466	S	S	.	.	H	α-helix	trans	-67.7	-47.6	175.9	-175.5	68	0	0	0	111.9	F122 K123 I124 S128 F129 I130	F122-L126 HydrophobicContact CE1-CD2 3.97Å; F122-L126 HydrophobicContact CZ-CD2 3.89Å; F122-L126 WeakPolarHBondContact O-CB 3.4Å; F122-L126 PolarHBondContact O-N 2.81Å; K123-L126 PolarHBondContact O-N 2.94Å; I124-L126 PolarHBondContact O-N 3.1Å; L126-S128 VanDerWaalsContact C-N 3.32Å; L126-S128 PolarHBondContact O-N 3.38Å; L126-F129 WeakPolarHBondContact O-CB 3.25Å; L126-F129 PolarHBondContact O-N 2.64Å; L126-I130 HydrophobicContact CG-CD1 4.33Å; L126-I130 WeakPolarHBondContact O-CG1 3.27Å; L126-I130 PolarHBondContact O-N 3.37Å
127	F	94.1	Very high	91.4	Very high	138 Å²	138	92.5 Å²	92.5	61%	0.605	45%	0.454	S	S	*	.	H	α-helix	trans	-65.9	-36.1	176.8	-82.6	-67.7	0	0	0	112.1	K123 F129 I130 K131	K123-F127 HydrophobicContact CB-CD2 4.43Å; K123-F127 WeakPolarHBondContact O-CB 3.47Å; K123-F127 WeakPolarHBondContact O-CD2 3.44Å; K123-F127 PolarHBondContact O-N 2.77Å; F127-F129 VanDerWaalsContact C-N 3.34Å; F127-I130 PolarHBondContact O-N 3.41Å; F127-K131 WeakPolarHBondContact O-CB 3.17Å; F127-K131 PolarHBondContact O-N 3.12Å
128	S	91.8	Very high	91.9	Very high	35 Å²	35	86.2 Å²	86.2	25%	0.245	44%	0.437	C	S	.	.	H	α-helix	trans	-56.6	-48.1	169.8	-176.7	0	0	0	0	110.9	I124 L126 I130 K131 F132	I124-S128 VanDerWaalsContact O-CB 3.29Å; I124-S128 WeakPolarHBondContact O-CB 3.14Å; I124-S128 PolarHBondContact O-N 2.97Å; L126-S128 VanDerWaalsContact C-N 3.32Å; L126-S128 PolarHBondContact O-N 3.38Å; S128-I130 PolarHBondContact O-N 3.4Å; S128-K131 PolarHBondContact O-N 2.87Å; S128-F132 WeakPolarHBondContact O-CD2 3.32Å; S128-F132 PolarHBondContact O-N 3.03Å
129	F	91.8	Very high	92.2	Very high	63 Å²	63	85.3 Å²	85.3	28%	0.276	43%	0.43	S	S	.	.	H	α-helix	trans	-57.9	-47.7	177.1	-165.9	-91.6	0	0	0	112.9	W102 M103 I110 F125 L126 F127 K131 F132 M133	W102-F129 HydrophobicContact CZ3-CD2 4.43Å; M103-F129 HydrophobicContact CG-CE2 3.79Å; M103-F129 HydrophobicContact CG-CZ 4.23Å; I110-F129 HydrophobicContact CD1-CB 4.2Å; I110-F129 HydrophobicContact CD1-CD2 4.45Å; I110-F129 HydrophobicContact CD1-CG 4.48Å; F125-F129 PolarHBondContact O-N 2.83Å; L126-F129 WeakPolarHBondContact O-CB 3.25Å; L126-F129 PolarHBondContact O-N 2.64Å; F127-F129 VanDerWaalsContact C-N 3.34Å; F129-K131 VanDerWaalsContact C-N 3.34Å; F129-K131 PolarHBondContact O-N 3.26Å; F129-F132 PolarHBondContact O-N 3.4Å; F129-M133 PolarHBondContact O-N 2.84Å; F129-M133 VanDerWaalsContact O-N 3.1Å
130	I	93.9	Very high	92.3	Very high	96 Å²	96	82.2 Å²	82.2	49%	0.492	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-43.1	180	-66.8	168.9	0	0	0	110.8	L126 F127 S128 F132 M133 P134	L126-I130 HydrophobicContact CG-CD1 4.33Å; L126-I130 WeakPolarHBondContact O-CG1 3.27Å; L126-I130 PolarHBondContact O-N 3.37Å; F127-I130 PolarHBondContact O-N 3.41Å; S128-I130 PolarHBondContact O-N 3.4Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 2.91Å; I130-M133 PolarHBondContact O-N 3.23Å; I130-P134 WeakPolarHBondContact O-CD 3.18Å
131	K	92.4	Very high	92.4	Very high	168 Å²	168	79 Å²	79	73%	0.73	40%	0.4	S	S	*	.	H	α-helix	trans	-62.9	-37.1	180	-174.6	179.7	177.8	-179	0	112.8	F127 S128 F129 P134	F127-K131 WeakPolarHBondContact O-CB 3.17Å; F127-K131 PolarHBondContact O-N 3.12Å; S128-K131 PolarHBondContact O-N 2.87Å; F129-K131 VanDerWaalsContact C-N 3.34Å; F129-K131 PolarHBondContact O-N 3.26Å; K131-P134 WeakPolarHBondContact O-CD 3.48Å
132	F	92.3	Very high	92.7	Very high	90 Å²	90	80.1 Å²	80.1	40%	0.395	40%	0.402	S	S	.	.	H	α-helix	trans	-85.6	-16.7	-178.4	-82.9	-81.7	0	0	0	114	W102 S128 F129 I130 V135 I136	W102-F132 HydrophobicContact CE3-CB 4.43Å; W102-F132 HydrophobicContact CH2-CB 3.48Å; W102-F132 VanDerWaalsContact CH2-CB 3.48Å; W102-F132 AromaticContact CH2-CD2 3.48Å; W102-F132 HydrophobicContact CH2-CD2 3.48Å; W102-F132 VanDerWaalsContact CH2-CD2 3.48Å; W102-F132 HydrophobicContact CH2-CE2 4.4Å; W102-F132 AromaticContact CH2-CG 3.65Å; W102-F132 HydrophobicContact CH2-CG 3.65Å; W102-F132 HydrophobicContact CZ2-CB 4.23Å; W102-F132 AromaticContact CZ2-CD2 3.43Å; W102-F132 HydrophobicContact CZ2-CD2 3.43Å; W102-F132 VanDerWaalsContact CZ2-CD2 3.43Å; W102-F132 AromaticContact CZ2-CE2 3.91Å; W102-F132 HydrophobicContact CZ2-CE2 3.91Å; W102-F132 AromaticContact CZ2-CG 3.88Å; W102-F132 HydrophobicContact CZ2-CG 3.88Å; W102-F132 HydrophobicContact CZ3-CB 3.6Å; W102-F132 HydrophobicContact CZ3-CD2 4.38Å; W102-F132 HydrophobicContact CZ3-CG 4.11Å; S128-F132 WeakPolarHBondContact O-CD2 3.32Å; S128-F132 PolarHBondContact O-N 3.03Å; F129-F132 PolarHBondContact O-N 3.4Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 2.91Å; F132-V135 WeakPolarHBondContact O-CB 3.48Å; F132-V135 PolarHBondContact O-N 3.47Å; F132-V135 VanDerWaalsContact O-N 3.08Å; F132-I136 PolarHBondContact O-N 3.43Å; F132-I136 VanDerWaalsContact O-N 3.15Å
133	M	92.1	Very high	92.7	Very high	121 Å²	121	76.9 Å²	76.9	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-54.6	-44.1	-178.6	-180	179.4	172.3	0	0	114.2	F129 I130 V135 I136 A137	F129-M133 PolarHBondContact O-N 2.84Å; F129-M133 VanDerWaalsContact O-N 3.1Å; I130-M133 PolarHBondContact O-N 3.23Å; M133-V135 VanDerWaalsContact C-N 3.3Å; M133-V135 PolarHBondContact O-N 3.45Å; M133-I136 PolarHBondContact O-N 3.19Å; M133-A137 PolarHBondContact O-N 3.49Å
134	P	94.7	Very high	92.6	Very high	86 Å²	86	76.9 Å²	76.9	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-60.3	-37.3	176	-25	35.3	0	0	0	113.3	I130 K131 A137 L138	I130-P134 WeakPolarHBondContact O-CD 3.18Å; K131-P134 WeakPolarHBondContact O-CD 3.48Å; P134-A137 PolarHBondContact O-N 3.2Å; P134-L138 VanDerWaalsContact O-CB 3.3Å; P134-L138 WeakPolarHBondContact O-CB 3.22Å; P134-L138 PolarHBondContact O-N 3.05Å
135	V	92.6	Very high	92.7	Very high	72 Å²	72	76.5 Å²	76.5	44%	0.436	39%	0.386	S	S	.	.	H	α-helix	trans	-66.3	-43.8	178.6	-178.8	0	0	0	0	110.5	F132 M133 A137 L138 V139	F132-V135 WeakPolarHBondContact O-CB 3.48Å; F132-V135 PolarHBondContact O-N 3.47Å; F132-V135 VanDerWaalsContact O-N 3.08Å; M133-V135 VanDerWaalsContact C-N 3.3Å; M133-V135 PolarHBondContact O-N 3.45Å; V135-A137 VanDerWaalsContact C-N 3.32Å; V135-A137 PolarHBondContact O-N 2.99Å; V135-L138 WeakPolarHBondContact O-CB 3.39Å; V135-L138 PolarHBondContact O-N 3.47Å; V135-V139 WeakPolarHBondContact O-CG2 3.41Å; V135-V139 PolarHBondContact O-N 3.09Å
136	I	91.6	Very high	92.8	Very high	23 Å²	23	74.2 Å²	74.2	12%	0.118	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-42.2	176.4	-60.2	174.9	0	0	0	110.6	C99 W102 F132 M133 N140	C99-I136 HydrophobicContact CB-CG1 4.04Å; C99-I136 HydrophobicContact CB-CG2 4.46Å; W102-I136 HydrophobicContact CE3-CD1 4.37Å; W102-I136 HydrophobicContact CZ3-CD1 4.37Å; F132-I136 PolarHBondContact O-N 3.43Å; F132-I136 VanDerWaalsContact O-N 3.15Å; M133-I136 PolarHBondContact O-N 3.19Å; I136-N140 PolarHBondContact O-N 3.38Å; I136-N140 PolarHBondContact O-ND2 3.17Å
137	A	93.8	Very high	92.8	Very high	43 Å²	43	72.2 Å²	72.2	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-41.3	175.8	0	0	0	0	0	111.7	M133 P134 V135 N140 N141	M133-A137 PolarHBondContact O-N 3.49Å; P134-A137 PolarHBondContact O-N 3.2Å; V135-A137 VanDerWaalsContact C-N 3.32Å; V135-A137 PolarHBondContact O-N 2.99Å; A137-N140 PolarHBondContact O-N 2.96Å; A137-N141 PolarHBondContact O-N 3.14Å; A137-N141 PolarHBondContact O-ND2 2.98Å
138	L	94.3	Very high	92.8	Very high	97 Å²	97	70.4 Å²	70.4	51%	0.508	36%	0.363	S	S	.	.	H	α-helix	trans	-61.4	-50.6	178.6	-170.3	111.4	0	0	0	111.5	P134 V135 N140 N141 F142	P134-L138 VanDerWaalsContact O-CB 3.3Å; P134-L138 WeakPolarHBondContact O-CB 3.22Å; P134-L138 PolarHBondContact O-N 3.05Å; V135-L138 WeakPolarHBondContact O-CB 3.39Å; V135-L138 PolarHBondContact O-N 3.47Å; L138-N140 VanDerWaalsContact C-N 3.3Å; L138-N140 PolarHBondContact O-N 3.37Å; L138-N141 PolarHBondContact O-N 3.38Å; L138-N141 VanDerWaalsContact O-N 3.13Å; L138-F142 HydrophobicContact CD1-CD2 4.48Å; L138-F142 HydrophobicContact CD1-CE2 3.93Å; L138-F142 HydrophobicContact CD2-CD2 3.78Å; L138-F142 HydrophobicContact CD2-CE2 3.64Å; L138-F142 HydrophobicContact CG-CD2 3.66Å; L138-F142 HydrophobicContact CG-CE2 3.56Å; L138-F142 WeakPolarHBondContact O-CD2 3.46Å; L138-F142 PolarHBondContact O-N 3.14Å
139	V	93.3	Very high	92.9	Very high	14 Å²	14	71 Å²	71	9%	0.085	36%	0.362	C	S	.	.	H	α-helix	trans	-57.5	-43.3	177.2	173	0	0	0	0	111.3	M92 A95 R96 V135 N141 L143	M92-V139 HydrophobicContact SD-CG1 4.29Å; A95-V139 HydrophobicContact CB-CG1 4.05Å; A95-V139 HydrophobicContact CB-CG2 4.46Å; R96-V139 HydrophobicContact CB-CG1 3.92Å; V135-V139 WeakPolarHBondContact O-CG2 3.41Å; V135-V139 PolarHBondContact O-N 3.09Å; V139-N141 VanDerWaalsContact C-N 3.35Å; V139-N141 PolarHBondContact O-N 3.41Å; V139-L143 WeakPolarHBondContact O-CB 3.2Å; V139-L143 PolarHBondContact O-N 3.24Å
140	N	90.5	Very high	93.1	Very high	37 Å²	37	68 Å²	68	20%	0.198	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-38.3	178	-80.5	-47.5	0	0	0	112.9	R96 I136 A137 L138 K144	R96-N140 WeakPolarHBondContact CD-OD1 3.39Å; R96-N140 PolarHBondContact NE-OD1 3.05Å; R96-N140 PolarHBondContact NH2-OD1 3.42Å; I136-N140 PolarHBondContact O-N 3.38Å; I136-N140 PolarHBondContact O-ND2 3.17Å; A137-N140 PolarHBondContact O-N 2.96Å; L138-N140 VanDerWaalsContact C-N 3.3Å; L138-N140 PolarHBondContact O-N 3.37Å; N140-K144 WeakPolarHBondContact O-CG 3.39Å; N140-K144 PolarHBondContact O-N 2.91Å
141	N	93.4	Very high	93.1	Very high	94 Å²	94	65.1 Å²	65.1	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-77.5	-38.2	179.7	-75.3	-59.8	0	0	0	112.3	A137 L138 V139 L143 K144 L145	A137-N141 PolarHBondContact O-N 3.14Å; A137-N141 PolarHBondContact O-ND2 2.98Å; L138-N141 PolarHBondContact O-N 3.38Å; L138-N141 VanDerWaalsContact O-N 3.13Å; V139-N141 VanDerWaalsContact C-N 3.35Å; V139-N141 PolarHBondContact O-N 3.41Å; N141-L143 VanDerWaalsContact C-N 3.3Å; N141-L143 PolarHBondContact O-N 3.48Å; N141-K144 PolarHBondContact O-N 3.5Å; N141-K144 VanDerWaalsContact O-N 3.17Å; N141-L145 WeakPolarHBondContact O-CB 3.4Å; N141-L145 PolarHBondContact O-N 2.96Å
142	F	93.1	Very high	93.2	Very high	94 Å²	94	61.8 Å²	61.8	41%	0.412	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-40	171.5	-88.9	-66.3	0	0	0	112.2	M92 L138 K144 L145 G146	M92-F142 HydrophobicContact CG-CB 4.3Å; M92-F142 HydrophobicContact SD-CB 3.93Å; L138-F142 HydrophobicContact CD1-CD2 4.48Å; L138-F142 HydrophobicContact CD1-CE2 3.93Å; L138-F142 HydrophobicContact CD2-CD2 3.78Å; L138-F142 HydrophobicContact CD2-CE2 3.64Å; L138-F142 HydrophobicContact CG-CD2 3.66Å; L138-F142 HydrophobicContact CG-CE2 3.56Å; L138-F142 WeakPolarHBondContact O-CD2 3.46Å; L138-F142 PolarHBondContact O-N 3.14Å; F142-K144 PolarHBondContact O-N 2.97Å; F142-L145 PolarHBondContact O-N 3.08Å; F142-G146 PolarHBondContact O-N 3.42Å
143	L	91.4	Very high	93.3	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-45.9	173.3	-179.9	67.5	0	0	0	111.6	I89 M92 L93 V139 N141 G146 L147	I89-L143 HydrophobicContact CG2-CD1 3.84Å; M92-L143 HydrophobicContact CB-CB 4.16Å; M92-L143 HydrophobicContact CB-CD1 4.06Å; L93-L143 HydrophobicContact CD2-CD1 3.76Å; L93-L143 HydrophobicContact CD2-CD2 3.74Å; L93-L143 HydrophobicContact CD2-CG 4.41Å; L93-L143 HydrophobicContact CG-CD1 3.91Å; V139-L143 WeakPolarHBondContact O-CB 3.2Å; V139-L143 PolarHBondContact O-N 3.24Å; N141-L143 VanDerWaalsContact C-N 3.3Å; N141-L143 PolarHBondContact O-N 3.48Å; L143-G146 PolarHBondContact O-N 2.93Å; L143-L147 HydrophobicContact CD1-CD1 4.41Å; L143-L147 HydrophobicContact CG-CD1 4.16Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 2.96Å
144	K	91.8	Very high	93.5	Very high	127 Å²	127	56.1 Å²	56.1	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-63.1	-42.8	177.5	-72.7	175.5	-177.2	176.8	0	112	N140 N141 F142 L147 N148	N140-K144 WeakPolarHBondContact O-CG 3.39Å; N140-K144 PolarHBondContact O-N 2.91Å; N141-K144 PolarHBondContact O-N 3.5Å; N141-K144 VanDerWaalsContact O-N 3.17Å; F142-K144 PolarHBondContact O-N 2.97Å; K144-L147 PolarHBondContact O-N 3.38Å; K144-N148 PolarHBondContact O-N 2.93Å; K144-N148 PolarHBondContact O-ND2 3.43Å
145	L	93.3	Very high	93.5	Very high	98 Å²	98	56.3 Å²	56.3	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-49.9	176.9	-178.3	147.4	0	0	0	110.8	N141 F142 L147 N148 E149	N141-L145 WeakPolarHBondContact O-CB 3.4Å; N141-L145 PolarHBondContact O-N 2.96Å; F142-L145 PolarHBondContact O-N 3.08Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L145-L147 PolarHBondContact O-N 3.22Å; L145-N148 PolarHBondContact O-N 3.48Å; L145-E149 WeakPolarHBondContact O-CB 3.42Å; L145-E149 PolarHBondContact O-N 3.1Å
146	G	93.5	Very high	93.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-41.1	178	0	0	0	0	0	112.8	F142 L143 L150	F142-G146 PolarHBondContact O-N 3.42Å; L143-G146 PolarHBondContact O-N 2.93Å; G146-L150 VanDerWaalsContact O-CB 3.26Å; G146-L150 WeakPolarHBondContact O-CB 3.37Å; G146-L150 PolarHBondContact O-N 3.04Å
147	L	92.9	Very high	93.7	Very high	19 Å²	19	60.6 Å²	60.6	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-43.9	176.4	-71.1	168.9	0	0	0	112.6	I89 L143 K144 L145 K151 V201	I89-L147 HydrophobicContact CD1-CD2 3.91Å; I89-L147 HydrophobicContact CD1-CG 4.4Å; I89-L147 HydrophobicContact CG1-CD2 4.29Å; I89-L147 HydrophobicContact CG1-CG 4.45Å; I89-L147 HydrophobicContact CG2-CD2 4.06Å; L143-L147 HydrophobicContact CD1-CD1 4.41Å; L143-L147 HydrophobicContact CG-CD1 4.16Å; L143-L147 VanDerWaalsContact O-CG 3.25Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 2.96Å; K144-L147 PolarHBondContact O-N 3.38Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L145-L147 PolarHBondContact O-N 3.22Å; L147-K151 VanDerWaalsContact O-CG 3.3Å; L147-K151 WeakPolarHBondContact O-CG 3.31Å; L147-K151 PolarHBondContact O-N 3.32Å; L147-K151 VanDerWaalsContact O-N 3.1Å; L147-V201 HydrophobicContact CB-CG1 4.33Å; L147-V201 HydrophobicContact CD2-CG1 3.6Å
148	N	94.4	Very high	93.7	Very high	100 Å²	100	58.7 Å²	58.7	54%	0.535	28%	0.276	S	S	.	.	H	α-helix	trans	-69.9	-42	-178.8	-72.3	-21.1	0	0	0	112.3	K144 L145 L150 K151 L152	K144-N148 PolarHBondContact O-N 2.93Å; K144-N148 PolarHBondContact O-ND2 3.43Å; L145-N148 PolarHBondContact O-N 3.48Å; N148-L150 VanDerWaalsContact C-N 3.34Å; N148-L150 PolarHBondContact O-N 3.31Å; N148-K151 WeakPolarHBondContact O-CB 3.15Å; N148-K151 PolarHBondContact O-N 3.39Å; N148-L152 PolarHBondContact O-N 2.9Å; N148-L152 VanDerWaalsContact O-N 3.15Å
149	E	94.5	Very high	93.8	Very high	48 Å²	48	55.5 Å²	55.5	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-41	176.5	-175.7	59.5	-160.9	0	0	111	Y85 L145 K151 L152 R153	Y85-E149 HydrophobicContact CD1-CG 4.43Å; Y85-E149 HydrophobicContact CD2-CG 4.24Å; Y85-E149 HydrophobicContact CE1-CB 4.25Å; Y85-E149 HydrophobicContact CE1-CG 3.86Å; Y85-E149 HydrophobicContact CE2-CG 3.63Å; Y85-E149 VanDerWaalsContact CZ-CG 3.42Å; L145-E149 WeakPolarHBondContact O-CB 3.42Å; L145-E149 PolarHBondContact O-N 3.1Å; E149-K151 VanDerWaalsContact C-N 3.34Å; E149-K151 PolarHBondContact O-N 3.43Å; E149-L152 PolarHBondContact O-N 2.99Å; E149-R153 VanDerWaalsContact O-CG 3.29Å; E149-R153 WeakPolarHBondContact O-CG 3.33Å; E149-R153 PolarHBondContact O-N 2.83Å; E149-R153 IonicContact OE1-CZ 3.71Å; E149-R153 IonicContact OE1-NE 2.78Å; E149-R153 PolarHBondContact OE1-NE 3.09Å; E149-R153 IonicContact OE1-NH2 3.72Å; E149-R153 PolarHBondContact OE1-NH2 2.94Å
150	L	94.4	Very high	93.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-41.5	175.8	-173.8	66.5	0	0	0	112.1	E82 L86 I89 G146 N148 L152 R153 F154 V201	E82-L150 HydrophobicContact CB-CD1 4.29Å; L86-L150 HydrophobicContact CD2-CD2 3.52Å; L86-L150 HydrophobicContact CG-CD1 4.27Å; L86-L150 HydrophobicContact CG-CD2 4.03Å; I89-L150 HydrophobicContact CD1-CB 4.16Å; I89-L150 HydrophobicContact CD1-CD2 3.57Å; I89-L150 HydrophobicContact CD1-CG 4.48Å; G146-L150 VanDerWaalsContact O-CB 3.26Å; G146-L150 WeakPolarHBondContact O-CB 3.37Å; G146-L150 PolarHBondContact O-N 3.04Å; N148-L150 VanDerWaalsContact C-N 3.34Å; N148-L150 PolarHBondContact O-N 3.31Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.49Å; L150-R153 PolarHBondContact O-N 3.26Å; L150-F154 HydrophobicContact CD1-CD1 3.93Å; L150-F154 HydrophobicContact CD1-CE1 3.48Å; L150-F154 VanDerWaalsContact CD1-CE1 3.48Å; L150-F154 HydrophobicContact CD1-CE2 4.24Å; L150-F154 HydrophobicContact CD1-CZ 3.65Å; L150-F154 HydrophobicContact CD2-CE2 4.18Å; L150-F154 HydrophobicContact CD2-CZ 4.16Å; L150-F154 HydrophobicContact CG-CD1 4.37Å; L150-F154 HydrophobicContact CG-CD2 4.26Å; L150-F154 HydrophobicContact CG-CE1 4.12Å; L150-F154 HydrophobicContact CG-CE2 4.01Å; L150-F154 HydrophobicContact CG-CG 4.46Å; L150-F154 HydrophobicContact CG-CZ 3.94Å; L150-F154 VanDerWaalsContact O-CB 3.26Å; L150-F154 WeakPolarHBondContact O-CB 3.4Å; L150-F154 VanDerWaalsContact O-CG 3.26Å; L150-F154 WeakPolarHBondContact O-CG 3.27Å; L150-F154 PolarHBondContact O-N 3.14Å; L150-V201 HydrophobicContact CB-CG2 4.45Å; L150-V201 HydrophobicContact CD2-CG1 4.08Å; L150-V201 HydrophobicContact CD2-CG2 3.93Å; L150-V201 HydrophobicContact CG-CG2 3.94Å
151	K	94.9	Very high	94	Very high	34 Å²	34	63.4 Å²	63.4	15%	0.148	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-45.1	175.7	-74.3	170.6	179.9	-176.1	0	111.9	L147 N148 E149 R155 N198 V201 D202	L147-K151 VanDerWaalsContact O-CG 3.3Å; L147-K151 WeakPolarHBondContact O-CG 3.31Å; L147-K151 PolarHBondContact O-N 3.32Å; L147-K151 VanDerWaalsContact O-N 3.1Å; N148-K151 WeakPolarHBondContact O-CB 3.15Å; N148-K151 PolarHBondContact O-N 3.39Å; E149-K151 VanDerWaalsContact C-N 3.34Å; E149-K151 PolarHBondContact O-N 3.43Å; K151-R155 PolarHBondContact O-N 2.94Å; K151-N198 WeakPolarHBondContact CD-OD1 3.38Å; K151-V201 HydrophobicContact CG-CB 3.66Å; K151-V201 HydrophobicContact CG-CG1 3.86Å; K151-V201 HydrophobicContact CG-CG2 3.8Å; K151-D202 WeakPolarHBondContact CE-OD1 3.31Å; K151-D202 IonicContact NZ-OD1 3.36Å; K151-D202 PolarHBondContact NZ-OD1 2.92Å; K151-D202 IonicContact NZ-OD2 2.68Å; K151-D202 PolarHBondContact NZ-OD2 2.69Å
152	L	94.9	Very high	94	Very high	99 Å²	99	59 Å²	59	52%	0.518	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-48.3	179.8	-179.4	60.7	0	0	0	111.6	N148 E149 L150 F154 R155 E156	N148-L152 PolarHBondContact O-N 2.9Å; N148-L152 VanDerWaalsContact O-N 3.15Å; E149-L152 PolarHBondContact O-N 2.99Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.49Å; L152-F154 VanDerWaalsContact C-N 3.32Å; L152-F154 PolarHBondContact O-N 3.06Å; L152-R155 WeakPolarHBondContact O-CB 3.31Å; L152-R155 PolarHBondContact O-N 3.09Å; L152-R155 VanDerWaalsContact O-N 3.14Å; L152-E156 PolarHBondContact O-N 3.26Å
153	R	94.1	Very high	94.1	Very high	85 Å²	85	58.5 Å²	58.5	32%	0.321	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-41.8	179	-66.5	-69.5	178.3	174.1	3.5	112.6	E82 E149 L150 R155 E156 R157	E82-R153 HydrophobicContact CG-CB 4.18Å; E149-R153 VanDerWaalsContact O-CG 3.29Å; E149-R153 WeakPolarHBondContact O-CG 3.33Å; E149-R153 PolarHBondContact O-N 2.83Å; E149-R153 IonicContact OE1-CZ 3.71Å; E149-R153 IonicContact OE1-NE 2.78Å; E149-R153 PolarHBondContact OE1-NE 3.09Å; E149-R153 IonicContact OE1-NH2 3.72Å; E149-R153 PolarHBondContact OE1-NH2 2.94Å; L150-R153 PolarHBondContact O-N 3.26Å; R153-R155 VanDerWaalsContact C-N 3.35Å; R153-E156 IonicContact NH1-OE2 3.71Å; R153-E156 PolarHBondContact O-N 3.22Å; R153-R157 PolarHBondContact O-N 2.92Å; R153-R157 VanDerWaalsContact O-N 3.11Å
154	F	95.1	Very high	94.3	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-44.3	174.7	-83	6.9	0	0	0	112.1	M74 V75 E82 L150 L152 L158 C197 V200 V201	M74-F154 HydrophobicContact CB-CD1 4.04Å; M74-F154 HydrophobicContact CB-CE1 4.17Å; M74-F154 HydrophobicContact CB-CG 4.42Å; M74-F154 HydrophobicContact CE-CB 3.4Å; M74-F154 HydrophobicContact CE-CD1 4.1Å; M74-F154 HydrophobicContact CE-CD2 3.19Å; M74-F154 HydrophobicContact CE-CE2 3.87Å; M74-F154 HydrophobicContact CE-CG 3.31Å; V75-F154 HydrophobicContact CG2-CE1 3.65Å; V75-F154 HydrophobicContact CG2-CZ 3.86Å; E82-F154 HydrophobicContact CB-CE1 4.06Å; E82-F154 HydrophobicContact CG-CD1 4.31Å; E82-F154 HydrophobicContact CG-CE1 4.21Å; L150-F154 HydrophobicContact CD1-CD1 3.93Å; L150-F154 HydrophobicContact CD1-CE1 3.48Å; L150-F154 VanDerWaalsContact CD1-CE1 3.48Å; L150-F154 HydrophobicContact CD1-CE2 4.24Å; L150-F154 HydrophobicContact CD1-CZ 3.65Å; L150-F154 HydrophobicContact CD2-CE2 4.18Å; L150-F154 HydrophobicContact CD2-CZ 4.16Å; L150-F154 HydrophobicContact CG-CD1 4.37Å; L150-F154 HydrophobicContact CG-CD2 4.26Å; L150-F154 HydrophobicContact CG-CE1 4.12Å; L150-F154 HydrophobicContact CG-CE2 4.01Å; L150-F154 HydrophobicContact CG-CG 4.46Å; L150-F154 HydrophobicContact CG-CZ 3.94Å; L150-F154 VanDerWaalsContact O-CB 3.26Å; L150-F154 WeakPolarHBondContact O-CB 3.4Å; L150-F154 VanDerWaalsContact O-CG 3.26Å; L150-F154 WeakPolarHBondContact O-CG 3.27Å; L150-F154 PolarHBondContact O-N 3.14Å; L152-F154 VanDerWaalsContact C-N 3.32Å; L152-F154 PolarHBondContact O-N 3.06Å; F154-L158 WeakPolarHBondContact O-CB 3.38Å; F154-L158 PolarHBondContact O-N 3.46Å; F154-L158 VanDerWaalsContact O-N 3.15Å; F154-C197 VanDerWaalsContact C-SG 3.59Å; F154-C197 HydrophobicContact CB-CB 4.13Å; F154-V200 HydrophobicContact CE2-CG1 4.17Å; F154-V201 HydrophobicContact CD2-CG2 3.48Å; F154-V201 VanDerWaalsContact CD2-CG2 3.48Å; F154-V201 HydrophobicContact CE2-CG2 3.71Å; F154-V201 HydrophobicContact CG-CG2 4.49Å
155	R	95.6	Very high	94.4	Very high	90 Å²	90	59.2 Å²	59.2	34%	0.34	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-52.3	174.1	-178.1	-175.7	-179.6	156.4	11.1	111.4	K151 L152 R153 R157 L158 T159 E194 C197	K151-R155 PolarHBondContact O-N 2.94Å; L152-R155 WeakPolarHBondContact O-CB 3.31Å; L152-R155 PolarHBondContact O-N 3.09Å; L152-R155 VanDerWaalsContact O-N 3.14Å; R153-R155 VanDerWaalsContact C-N 3.35Å; R155-R157 VanDerWaalsContact C-N 3.32Å; R155-R157 PolarHBondContact O-N 2.82Å; R155-L158 PolarHBondContact O-N 2.96Å; R155-T159 WeakPolarHBondContact O-CB 3.34Å; R155-T159 PolarHBondContact O-N 3.08Å; R155-T159 PolarHBondContact O-OG1 2.7Å; R155-E194 IonicContact CZ-OE2 2.67Å; R155-E194 IonicContact NH1-OE1 3.94Å; R155-E194 IonicContact NH1-OE2 2.96Å; R155-E194 PolarHBondContact NH1-OE2 3.14Å; R155-E194 IonicContact NH2-OE2 3.63Å; R155-E194 PolarHBondContact NH2-OE2 3.43Å; R155-C197 HydrophobicContact CB-CB 4.41Å
156	E	94.6	Very high	94.4	Very high	106 Å²	106	56.8 Å²	56.8	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	-51.7	-50.1	-178.3	-172.1	-172.1	172.5	0	0	111.6	L152 R153 K160	L152-E156 PolarHBondContact O-N 3.26Å; R153-E156 IonicContact NH1-OE2 3.71Å; R153-E156 PolarHBondContact O-N 3.22Å; E156-K160 VanDerWaalsContact O-CB 3.24Å; E156-K160 WeakPolarHBondContact O-CB 3.42Å; E156-K160 PolarHBondContact O-N 2.84Å
157	R	93.6	Very high	94.4	Very high	80 Å²	80	62 Å²	62	30%	0.302	29%	0.285	S	S	.	.	H	α-helix	trans	-68	-46.2	-179.5	-76.9	-161.3	169.9	158.1	10.9	114	M74 E82 R153 R155 K161	M74-R157 PolarHBondContact O-NH1 2.96Å; E82-R157 IonicContact OE1-CZ 3.22Å; E82-R157 IonicContact OE1-NE 2.78Å; E82-R157 PolarHBondContact OE1-NE 3.36Å; E82-R157 IonicContact OE1-NH1 3.55Å; E82-R157 PolarHBondContact OE1-NH1 3.34Å; E82-R157 IonicContact OE1-NH2 3.83Å; E82-R157 PolarHBondContact OE1-NH2 3.22Å; E82-R157 IonicContact OE2-CZ 2.7Å; E82-R157 IonicContact OE2-NH1 3.44Å; E82-R157 PolarHBondContact OE2-NH1 3.08Å; E82-R157 IonicContact OE2-NH2 2.84Å; E82-R157 PolarHBondContact OE2-NH2 3.41Å; R153-R157 PolarHBondContact O-N 2.92Å; R153-R157 VanDerWaalsContact O-N 3.11Å; R155-R157 VanDerWaalsContact C-N 3.32Å; R155-R157 PolarHBondContact O-N 2.82Å; R157-K161 PolarHBondContact O-N 3.05Å; R157-K161 VanDerWaalsContact O-N 3.11Å
158	L	94.5	Very high	94.4	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-44.7	-177.8	-177	55.3	0	0	0	110.3	I70 F154 R155 K161 L162 V193 F196	I70-L158 HydrophobicContact CG2-CD1 4.24Å; I70-L158 HydrophobicContact CG2-CD2 4.21Å; F154-L158 WeakPolarHBondContact O-CB 3.38Å; F154-L158 PolarHBondContact O-N 3.46Å; F154-L158 VanDerWaalsContact O-N 3.15Å; R155-L158 PolarHBondContact O-N 2.96Å; L158-K161 PolarHBondContact O-N 2.77Å; L158-L162 HydrophobicContact CD1-CD1 4.1Å; L158-L162 HydrophobicContact CD1-CG 4.26Å; L158-L162 HydrophobicContact CG-CD1 4.03Å; L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.24Å; L158-L162 PolarHBondContact O-N 3.31Å; L158-V193 HydrophobicContact CB-CG1 4.28Å; L158-V193 HydrophobicContact CD2-CG1 3.98Å; L158-V193 HydrophobicContact CG-CG1 4.01Å; L158-F196 HydrophobicContact CD2-CD1 3.72Å; L158-F196 HydrophobicContact CD2-CE1 3.88Å
159	T	95.4	Very high	94	Very high	31 Å²	31	63.8 Å²	63.8	19%	0.19	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-48.1	176.4	-65.2	0	0	0	0	111.5	R155 K161 L162 Y163 V193	R155-T159 WeakPolarHBondContact O-CB 3.34Å; R155-T159 PolarHBondContact O-N 3.08Å; R155-T159 PolarHBondContact O-OG1 2.7Å; T159-K161 PolarHBondContact O-N 3.28Å; T159-L162 PolarHBondContact O-N 3.02Å; T159-Y163 HydrophobicContact CG2-CD2 3.47Å; T159-Y163 VanDerWaalsContact CG2-CD2 3.47Å; T159-Y163 HydrophobicContact CG2-CE2 3.45Å; T159-Y163 VanDerWaalsContact CG2-CE2 3.45Å; T159-Y163 WeakPolarHBondContact O-CD2 3.42Å; T159-Y163 PolarHBondContact O-N 3.46Å; T159-V193 WeakPolarHBondContact OG1-CG1 2.93Å
160	K	94.6	Very high	93.6	Very high	136 Å²	136	64.4 Å²	64.4	59%	0.591	30%	0.303	S	S	*	.	H	α-helix	trans	-56.8	-50	178.4	-175.4	169.8	-177.1	172.2	0	111.8	E156 L162 Y163 D164	E156-K160 VanDerWaalsContact O-CB 3.24Å; E156-K160 WeakPolarHBondContact O-CB 3.42Å; E156-K160 PolarHBondContact O-N 2.84Å; K160-L162 VanDerWaalsContact C-N 3.33Å; K160-L162 PolarHBondContact O-N 3.21Å; K160-Y163 PolarHBondContact O-N 3.44Å; K160-D164 WeakPolarHBondContact O-CB 3.32Å; K160-D164 PolarHBondContact O-N 3.45Å
161	K	93.8	Very high	93.4	Very high	80 Å²	80	64.5 Å²	64.5	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-38.4	179.3	-174	175.3	-177.7	172.6	0	113.2	I73 R157 L158 T159 Q165	I73-K161 HydrophobicContact CB-CD 4.41Å; I73-K161 HydrophobicContact CD1-CD 4.01Å; I73-K161 HydrophobicContact CG1-CD 4.25Å; I73-K161 HydrophobicContact CG2-CB 4.42Å; I73-K161 HydrophobicContact CG2-CD 3.37Å; R157-K161 PolarHBondContact O-N 3.05Å; R157-K161 VanDerWaalsContact O-N 3.11Å; L158-K161 PolarHBondContact O-N 2.77Å; T159-K161 PolarHBondContact O-N 3.28Å; K161-Q165 WeakPolarHBondContact O-CG 3.36Å; K161-Q165 PolarHBondContact O-N 2.9Å
162	L	94.5	Very high	93.2	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-68.1	-41.4	178.2	-71.6	172.3	0	0	0	111.3	L158 T159 K160 Q165 Y166 L189 V193 L394 M395 L398	L158-L162 HydrophobicContact CD1-CD1 4.1Å; L158-L162 HydrophobicContact CD1-CG 4.26Å; L158-L162 HydrophobicContact CG-CD1 4.03Å; L158-L162 WeakPolarHBondContact O-CB 3.48Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.24Å; L158-L162 PolarHBondContact O-N 3.31Å; T159-L162 PolarHBondContact O-N 3.02Å; K160-L162 VanDerWaalsContact C-N 3.33Å; K160-L162 PolarHBondContact O-N 3.21Å; L162-Q165 PolarHBondContact O-N 3.17Å; L162-Y166 VanDerWaalsContact O-CB 3.25Å; L162-Y166 WeakPolarHBondContact O-CB 3.41Å; L162-Y166 PolarHBondContact O-N 3.14Å; L162-L189 HydrophobicContact CB-CD2 3.68Å; L162-L189 HydrophobicContact CD1-CD2 4.27Å; L162-L189 HydrophobicContact CG-CD2 4.5Å; L162-V193 HydrophobicContact CD1-CG2 3.49Å; L162-V193 VanDerWaalsContact CD1-CG2 3.49Å; L162-L394 HydrophobicContact CD2-CD2 4.38Å; L162-M395 HydrophobicContact CD2-CG 3.64Å; L162-L398 HydrophobicContact CD2-CD1 4.22Å
163	Y	95.2	Very high	92.9	Very high	83 Å²	83	65 Å²	65	33%	0.325	30%	0.299	S	S	.	.	H	α-helix	trans	-67.5	-38.9	174.8	-82.3	-64.7	0	0	0	112.8	T159 K160 Q165 Y166 L167 L189	T159-Y163 HydrophobicContact CG2-CD2 3.47Å; T159-Y163 VanDerWaalsContact CG2-CD2 3.47Å; T159-Y163 HydrophobicContact CG2-CE2 3.45Å; T159-Y163 VanDerWaalsContact CG2-CE2 3.45Å; T159-Y163 WeakPolarHBondContact O-CD2 3.42Å; T159-Y163 PolarHBondContact O-N 3.46Å; K160-Y163 PolarHBondContact O-N 3.44Å; Y163-Q165 PolarHBondContact O-N 3.42Å; Y163-Y166 HydrophobicContact CD1-CD1 4.19Å; Y163-Y166 HydrophobicContact CE1-CD1 4.4Å; Y163-Y166 PolarHBondContact O-N 3.31Å; Y163-Y166 VanDerWaalsContact O-N 3.17Å; Y163-L167 HydrophobicContact CD1-CD1 4.44Å; Y163-L167 WeakPolarHBondContact O-CB 3.46Å; Y163-L167 PolarHBondContact O-N 2.79Å; Y163-L189 HydrophobicContact CE1-CD1 4.19Å
164	D	94.7	Very high	92.6	Very high	101 Å²	101	63.3 Å²	63.3	54%	0.54	29%	0.294	S	S	.	.	H	α-helix	trans	-56.6	-37.3	174.1	-67	-21.9	0	0	0	111.2	K160 Q168	K160-D164 WeakPolarHBondContact O-CB 3.32Å; K160-D164 PolarHBondContact O-N 3.45Å; D164-Q168 WeakPolarHBondContact O-CB 3.07Å
165	Q	93.3	Very high	92.1	Very high	44 Å²	44	63.3 Å²	63.3	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-79.8	-37.6	176	-70	-173.9	-18.9	0	0	113.3	K161 L162 Y163 Q168 L398 N402	K161-Q165 WeakPolarHBondContact O-CG 3.36Å; K161-Q165 PolarHBondContact O-N 2.9Å; L162-Q165 PolarHBondContact O-N 3.17Å; Y163-Q165 PolarHBondContact O-N 3.42Å; Q165-Q168 WeakPolarHBondContact O-CB 3.32Å; Q165-Q168 PolarHBondContact O-N 3.22Å; Q165-L398 HydrophobicContact CB-CB 4.34Å; Q165-L398 HydrophobicContact CB-CD1 4.2Å; Q165-N402 PolarHBondContact O-ND2 3.3Å; Q165-N402 VanDerWaalsContact O-ND2 3.12Å; Q165-N402 PolarHBondContact O-OD1 3.23Å
166	Y	94.5	Very high	91.5	Very high	46 Å²	46	61.6 Å²	61.6	18%	0.18	30%	0.304	C	S	.	.	H	α-helix	trans	-69.8	-38.5	-178.2	-179.6	-113.4	0	0	0	112.8	L162 Y163 Q168 Y172 M175 L189 L398	L162-Y166 VanDerWaalsContact O-CB 3.25Å; L162-Y166 WeakPolarHBondContact O-CB 3.41Å; L162-Y166 PolarHBondContact O-N 3.14Å; Y163-Y166 HydrophobicContact CD1-CD1 4.19Å; Y163-Y166 HydrophobicContact CE1-CD1 4.4Å; Y163-Y166 PolarHBondContact O-N 3.31Å; Y163-Y166 VanDerWaalsContact O-N 3.17Å; Y166-Q168 VanDerWaalsContact C-N 3.33Å; Y166-Y172 VanDerWaalsContact CZ-CB 3.43Å; Y166-Y172 PolarHBondContact O-N 3.46Å; Y166-Y172 VanDerWaalsContact O-N 3.08Å; Y166-M175 HydrophobicContact CD2-CE 3.8Å; Y166-M175 HydrophobicContact CD2-SD 4.33Å; Y166-M175 HydrophobicContact CE2-CE 3.36Å; Y166-M175 HydrophobicContact CE2-SD 4.26Å; Y166-L189 HydrophobicContact CD1-CD1 3.93Å; Y166-L189 HydrophobicContact CD2-CD1 4.18Å; Y166-L189 HydrophobicContact CE1-CD1 4.11Å; Y166-L189 HydrophobicContact CE2-CD1 4.35Å; Y166-L189 HydrophobicContact CG-CD1 3.95Å; Y166-L398 HydrophobicContact CD2-CD2 3.84Å
167	L	93.3	Very high	91	Very high	109 Å²	109	60.3 Å²	60.3	57%	0.571	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	6.1	178.3	-60.2	176.4	0	0	0	112.7	Y163 G169 Y172	Y163-L167 HydrophobicContact CD1-CD1 4.44Å; Y163-L167 WeakPolarHBondContact O-CB 3.46Å; Y163-L167 PolarHBondContact O-N 2.79Å; L167-G169 PolarHBondContact O-N 2.97Å; L167-G169 VanDerWaalsContact O-N 3.12Å; L167-Y172 HydrophobicContact CD2-CD1 4.5Å
168	Q	91.7	Very high	90.3	Very high	115 Å²	115	56.6 Å²	56.6	54%	0.537	29%	0.287	S	S	.	.	S	Bend	trans	-71.5	106.6	175.3	-167.6	174.3	4.1	0	0	110.1	D164 Q165 Y166 F170 T171 N402	D164-Q168 WeakPolarHBondContact O-CB 3.07Å; Q165-Q168 WeakPolarHBondContact O-CB 3.32Å; Q165-Q168 PolarHBondContact O-N 3.22Å; Y166-Q168 VanDerWaalsContact C-N 3.33Å; Q168-F170 PolarHBondContact O-N 2.85Å; Q168-T171 PolarHBondContact O-N 3.07Å; Q168-T171 PolarHBondContact O-OG1 3.12Å; Q168-T171 VanDerWaalsContact O-OG1 3.11Å; Q168-N402 PolarHBondContact OE1-ND2 3.42Å
169	G	86.4	Confident	89.5	Confident	42 Å²	42	56.7 Å²	56.7	43%	0.433	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-128.3	-176.9	0	0	0	0	0	111.5	L167 Y172	L167-G169 PolarHBondContact O-N 2.97Å; L167-G169 VanDerWaalsContact O-N 3.12Å; G169-Y172 WeakPolarHBondContact O-CE1 3.45Å
170	F	87.2	Confident	88.7	Confident	61 Å²	61	60 Å²	60	27%	0.268	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	21.4	-178.3	-54.4	-55.7	0	0	0	113.5	Q168 Y172 Y173 K174 E488 L489	Q168-F170 PolarHBondContact O-N 2.85Å; F170-Y172 VanDerWaalsContact C-N 3.29Å; F170-Y172 PolarHBondContact O-N 3.35Å; F170-Y173 WeakPolarHBondContact O-CB 3.49Å; F170-Y173 PolarHBondContact O-N 2.86Å; F170-K174 WeakPolarHBondContact O-CG 3.45Å; F170-K174 PolarHBondContact O-N 3.11Å; F170-E488 HydrophobicContact CE2-CB 4.23Å; F170-L489 HydrophobicContact CB-CD2 4.49Å; F170-L489 HydrophobicContact CD1-CD2 4.3Å; F170-L489 HydrophobicContact CD2-CD2 4.5Å; F170-L489 HydrophobicContact CG-CD2 4.18Å
171	T	89.8	Confident	88	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-34.8	-172.5	-67.7	0	0	0	0	113.6	Q168 Y173 K174 M175 L398 L401 N402	Q168-T171 PolarHBondContact O-N 3.07Å; Q168-T171 PolarHBondContact O-OG1 3.12Å; Q168-T171 VanDerWaalsContact O-OG1 3.11Å; T171-Y173 VanDerWaalsContact C-N 3.3Å; T171-Y173 PolarHBondContact O-N 3.42Å; T171-K174 PolarHBondContact O-N 2.52Å; T171-M175 WeakPolarHBondContact O-CB 3.39Å; T171-M175 PolarHBondContact O-N 3.45Å; T171-L398 HydrophobicContact CG2-CD2 3.77Å; T171-L401 HydrophobicContact CG2-CB 3.91Å; T171-L401 HydrophobicContact CG2-CD1 4.16Å; T171-N402 VanDerWaalsContact CB-OD1 3.29Å; T171-N402 WeakPolarHBondContact CB-OD1 3.41Å; T171-N402 WeakPolarHBondContact CG2-OD1 3.45Å; T171-N402 PolarHBondContact OG1-OD1 2.95Å
172	Y	90.8	Very high	87.3	Confident	102 Å²	102	53.4 Å²	53.4	40%	0.4	27%	0.274	S	S	.	.	H	α-helix	trans	-56.6	-42.1	171.1	68.3	-87.5	0	0	0	112.7	Y166 L167 G169 F170 G176	Y166-Y172 VanDerWaalsContact CZ-CB 3.43Å; Y166-Y172 PolarHBondContact O-N 3.46Å; Y166-Y172 VanDerWaalsContact O-N 3.08Å; L167-Y172 HydrophobicContact CD2-CD1 4.5Å; G169-Y172 WeakPolarHBondContact O-CE1 3.45Å; F170-Y172 VanDerWaalsContact C-N 3.29Å; F170-Y172 PolarHBondContact O-N 3.35Å; Y172-G176 PolarHBondContact O-N 2.99Å
173	Y	88.8	Confident	86.1	Confident	41 Å²	41	56.6 Å²	56.6	16%	0.161	30%	0.301	C	S	.	.	H	α-helix	trans	-69.2	-46.5	176.2	175.7	-87.8	0	0	0	110.9	F170 T171 M175 G176 N177 L489 W490	F170-Y173 WeakPolarHBondContact O-CB 3.49Å; F170-Y173 PolarHBondContact O-N 2.86Å; T171-Y173 VanDerWaalsContact C-N 3.3Å; T171-Y173 PolarHBondContact O-N 3.42Å; Y173-M175 VanDerWaalsContact C-N 3.3Å; Y173-M175 PolarHBondContact O-N 3.41Å; Y173-G176 PolarHBondContact O-N 3.28Å; Y173-N177 WeakPolarHBondContact CD2-ND2 3.31Å; Y173-N177 HydrophobicContact CE1-CB 4.14Å; Y173-N177 HydrophobicContact CE2-CB 4.34Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.46Å; Y173-N177 WeakPolarHBondContact O-CB 3.48Å; Y173-N177 PolarHBondContact O-N 3.04Å; Y173-L489 HydrophobicContact CD1-CB 4.27Å; Y173-L489 HydrophobicContact CD1-CD2 4.08Å; Y173-L489 HydrophobicContact CD2-CD2 4.39Å; Y173-L489 HydrophobicContact CE1-CB 3.79Å; Y173-L489 HydrophobicContact CE1-CD2 4.34Å; Y173-L489 HydrophobicContact CE2-CD1 4.36Å; Y173-L489 HydrophobicContact CG-CD2 4.12Å; Y173-W490 PolarHBondContact OH-NE1 3.2Å
174	K	86.7	Confident	85.2	Confident	50 Å²	50	56 Å²	56	22%	0.217	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-40.6	-179.1	-62	-178.3	-178.8	179.4	0	111.5	F170 T171 G176 L178 D179 L401	F170-K174 WeakPolarHBondContact O-CG 3.45Å; F170-K174 PolarHBondContact O-N 3.11Å; T171-K174 PolarHBondContact O-N 2.52Å; K174-G176 PolarHBondContact O-N 3.02Å; K174-L178 HydrophobicContact CB-CD1 4.02Å; K174-L178 HydrophobicContact CB-CG 4.45Å; K174-L178 HydrophobicContact CD-CD1 4.48Å; K174-L178 HydrophobicContact CG-CD1 3.76Å; K174-L178 WeakPolarHBondContact O-CA 3.35Å; K174-L178 VanDerWaalsContact O-CB 3.27Å; K174-L178 WeakPolarHBondContact O-CB 3.39Å; K174-L178 PolarHBondContact O-N 3.25Å; K174-D179 PolarHBondContact O-N 3.15Å; K174-L401 HydrophobicContact CB-CD1 4.41Å; K174-L401 HydrophobicContact CB-CD2 4.17Å
175	M	86.4	Confident	84.8	Confident	6 Å²	6	52 Å²	52	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-31.1	179.7	-162.4	168.2	88.2	0	0	113.1	Y166 T171 Y173 A185 L394 V397 L398 L401	Y166-M175 HydrophobicContact CD2-CE 3.8Å; Y166-M175 HydrophobicContact CD2-SD 4.33Å; Y166-M175 HydrophobicContact CE2-CE 3.36Å; Y166-M175 HydrophobicContact CE2-SD 4.26Å; T171-M175 WeakPolarHBondContact O-CB 3.39Å; T171-M175 PolarHBondContact O-N 3.45Å; Y173-M175 VanDerWaalsContact C-N 3.3Å; Y173-M175 PolarHBondContact O-N 3.41Å; M175-A185 HydrophobicContact CE-CB 3.06Å; M175-L394 HydrophobicContact CE-CD1 3.9Å; M175-L394 HydrophobicContact SD-CD1 3.8Å; M175-V397 HydrophobicContact CG-CG1 4.42Å; M175-L398 HydrophobicContact SD-CD2 3.62Å; M175-L398 HydrophobicContact SD-CG 4.38Å; M175-L401 HydrophobicContact CB-CD1 3.62Å; M175-L401 HydrophobicContact CG-CD1 3.96Å
176	G	82.6	Confident	84.4	Confident	54 Å²	54	55 Å²	55	56%	0.557	30%	0.301	S	S	*	.	H	α-helix	trans	-83.4	-35.7	177	0	0	0	0	0	113.9	Y172 Y173 K174	Y172-G176 PolarHBondContact O-N 2.99Å; Y173-G176 PolarHBondContact O-N 3.28Å; K174-G176 PolarHBondContact O-N 3.02Å
177	N	83	Confident	83.9	Confident	79 Å²	79	53.4 Å²	53.4	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-114.6	-21.1	-167.4	-67.6	-37.2	0	0	0	115	Y173 R408	Y173-N177 WeakPolarHBondContact CD2-ND2 3.31Å; Y173-N177 HydrophobicContact CE1-CB 4.14Å; Y173-N177 HydrophobicContact CE2-CB 4.34Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.46Å; Y173-N177 WeakPolarHBondContact O-CB 3.48Å; Y173-N177 PolarHBondContact O-N 3.04Å; N177-R408 PolarHBondContact O-NH1 3.43Å; N177-R408 PolarHBondContact O-NH2 3.09Å
178	L	78.3	Confident	83.6	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-29.8	-177.2	-56.8	-177	0	0	0	113.5	K174 Y406 R408 P450	K174-L178 HydrophobicContact CB-CD1 4.02Å; K174-L178 HydrophobicContact CB-CG 4.45Å; K174-L178 HydrophobicContact CD-CD1 4.48Å; K174-L178 HydrophobicContact CG-CD1 3.76Å; K174-L178 WeakPolarHBondContact O-CA 3.35Å; K174-L178 VanDerWaalsContact O-CB 3.27Å; K174-L178 WeakPolarHBondContact O-CB 3.39Å; K174-L178 PolarHBondContact O-N 3.25Å; L178-Y406 HydrophobicContact CB-CD2 4.2Å; L178-Y406 HydrophobicContact CB-CG 4.48Å; L178-R408 WeakPolarHBondContact O-CB 3.5Å; L178-R408 WeakPolarHBondContact O-CG 3.49Å; L178-P450 HydrophobicContact CD2-CB 3.58Å; L178-P450 HydrophobicContact CD2-CG 3.46Å; L178-P450 VanDerWaalsContact CD2-CG 3.46Å
179	D	79.3	Confident	83.5	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	25%	0.245	C	C	.	.			trans	-115.4	132.6	-177.5	-161.4	-52.8	0	0	0	110.5	K174 R181 L401 E407	K174-D179 PolarHBondContact O-N 3.15Å; D179-R181 WeakPolarHBondContact OD1-CB 3.27Å; D179-R181 VanDerWaalsContact OD1-CG 3.23Å; D179-R181 WeakPolarHBondContact OD1-CG 3.33Å; D179-R181 PolarHBondContact OD1-N 3.16Å; D179-R181 IonicContact OD1-NE 3.85Å; D179-R181 PolarHBondContact OD1-NE 3.41Å; D179-R181 IonicContact OD2-CZ 3.37Å; D179-R181 VanDerWaalsContact OD2-CZ 3.24Å; D179-R181 IonicContact OD2-NE 3.43Å; D179-R181 PolarHBondContact OD2-NE 2.59Å; D179-R181 IonicContact OD2-NH2 3.58Å; D179-R181 PolarHBondContact OD2-NH2 2.78Å; D179-L401 HydrophobicContact CB-CD2 4.19Å; D179-E407 PolarHBondContact OD2-N 3.26Å
180	N	77.8	Confident	83.7	Confident	100 Å²	100	43.9 Å²	43.9	54%	0.535	24%	0.241	S	C	.	.			trans	-107.8	4.9	-177.7	-77.7	-12.9	0	0	0	113	I182	N180-I182 VanDerWaalsContact C-N 3.34Å; N180-I182 PolarHBondContact O-N 3.2Å
181	R	80.4	Confident	83.8	Confident	62 Å²	62	43.9 Å²	43.9	23%	0.234	24%	0.242	C	C	.	.	S	Bend	trans	-68.8	-34.9	-175.9	-66.3	178.6	-70	175.2	3.1	112.2	D179 V397 E400 E407	D179-R181 WeakPolarHBondContact OD1-CB 3.27Å; D179-R181 VanDerWaalsContact OD1-CG 3.23Å; D179-R181 WeakPolarHBondContact OD1-CG 3.33Å; D179-R181 PolarHBondContact OD1-N 3.16Å; D179-R181 IonicContact OD1-NE 3.85Å; D179-R181 PolarHBondContact OD1-NE 3.41Å; D179-R181 IonicContact OD2-CZ 3.37Å; D179-R181 VanDerWaalsContact OD2-CZ 3.24Å; D179-R181 IonicContact OD2-NE 3.43Å; D179-R181 PolarHBondContact OD2-NE 2.59Å; D179-R181 IonicContact OD2-NH2 3.58Å; D179-R181 PolarHBondContact OD2-NH2 2.78Å; R181-V397 HydrophobicContact CB-CG2 4.36Å; R181-E400 IonicContact CZ-OE2 3.56Å; R181-E400 IonicContact NH1-OE2 3.75Å; R181-E400 PolarHBondContact NH1-OE2 3.39Å; R181-E400 IonicContact NH2-OE2 3.48Å; R181-E400 PolarHBondContact NH2-OE2 3.29Å; R181-E407 VanDerWaalsContact CD-OE2 3.27Å; R181-E407 WeakPolarHBondContact CD-OE2 3.43Å; R181-E407 IonicContact CZ-OE2 3.52Å; R181-E407 IonicContact NE-OE2 3.38Å; R181-E407 VanDerWaalsContact NH1-CD 3.28Å; R181-E407 IonicContact NH1-OE1 3.82Å; R181-E407 IonicContact NH1-OE2 3.64Å; R181-E407 PolarHBondContact NH1-OE2 3.31Å
182	I	79.6	Confident	83.8	Confident	17 Å²	17	43.8 Å²	43.8	9%	0.087	24%	0.241	C	C	.	.			trans	-113	109.1	-178.1	-58.9	179.5	0	0	0	109.9	N180 L188 E393 L394 V397	N180-I182 VanDerWaalsContact C-N 3.34Å; N180-I182 PolarHBondContact O-N 3.2Å; I182-L188 HydrophobicContact CG2-CD1 4.2Å; I182-L188 HydrophobicContact CG2-CD2 4.08Å; I182-E393 HydrophobicContact CD1-CG 4.47Å; I182-E393 HydrophobicContact CG1-CG 4.36Å; I182-L394 HydrophobicContact CD1-CB 4.02Å; I182-L394 HydrophobicContact CD1-CD1 3.72Å; I182-L394 HydrophobicContact CD1-CG 4.48Å; I182-V397 HydrophobicContact CD1-CB 3.65Å; I182-V397 HydrophobicContact CD1-CG1 4Å; I182-V397 HydrophobicContact CD1-CG2 3.65Å; I182-V397 HydrophobicContact CG1-CB 4.45Å; I182-V397 HydrophobicContact CG1-CG2 4.05Å
183	A	67.9	Low	83.9	Confident	69 Å²	69	38.9 Å²	38.9	57%	0.57	22%	0.222	S	C	*	.	S	Bend	trans	-84.5	139.9	165.8	0	0	0	0	0	110.4
184	N	77.8	Confident	84.1	Confident	70 Å²	70	40.3 Å²	40.3	37%	0.374	23%	0.23	S	C	.	.			trans	61.3	58.1	173.8	-51.1	-21.6	0	0	0	114.4	D186 Q187 L188	N184-D186 VanDerWaalsContact CA-OD1 3.3Å; N184-D186 WeakPolarHBondContact CA-OD1 3.26Å; N184-D186 PolarHBondContact O-N 3.01Å; N184-Q187 HydrophobicContact CB-CB 4.25Å; N184-Q187 PolarHBondContact O-N 3.14Å; N184-Q187 VanDerWaalsContact O-N 3.15Å; N184-L188 WeakPolarHBondContact O-CD1 3.23Å; N184-L188 PolarHBondContact O-N 3.32Å
185	A	84.9	Confident	84.4	Confident	16 Å²	16	40.9 Å²	40.9	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-46	-42.5	173.7	0	0	0	0	0	114.4	M175 L188 L189	M175-A185 HydrophobicContact CE-CB 3.06Å; A185-L188 PolarHBondContact O-N 3.23Å; A185-L189 WeakPolarHBondContact O-CB 2.99Å; A185-L189 WeakPolarHBondContact O-CG 3.36Å; A185-L189 PolarHBondContact O-N 3.15Å
186	D	85.2	Confident	84.7	Confident	107 Å²	107	40.6 Å²	40.6	57%	0.572	23%	0.231	S	C	*	.	H	α-helix	trans	-57.8	-47.9	179.5	62.6	-51.4	0	0	0	111.6	N184 L188 L189 T190	N184-D186 VanDerWaalsContact CA-OD1 3.3Å; N184-D186 WeakPolarHBondContact CA-OD1 3.26Å; N184-D186 PolarHBondContact O-N 3.01Å; D186-L188 VanDerWaalsContact C-N 3.35Å; D186-L188 PolarHBondContact O-N 3.3Å; D186-L189 PolarHBondContact O-N 2.95Å; D186-T190 WeakPolarHBondContact O-CB 3.38Å; D186-T190 WeakPolarHBondContact O-CG2 3.27Å; D186-T190 PolarHBondContact O-N 2.6Å; D186-T190 PolarHBondContact O-OG1 3.31Å
187	Q	84.8	Confident	85.2	Confident	13 Å²	13	38 Å²	38	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-39.4	177.9	-176.5	-179.9	-7.7	0	0	111.4	N184 Q191 D192	N184-Q187 HydrophobicContact CB-CB 4.25Å; N184-Q187 PolarHBondContact O-N 3.14Å; N184-Q187 VanDerWaalsContact O-N 3.15Å; Q187-Q191 HydrophobicContact CG-CB 4.5Å; Q187-Q191 PolarHBondContact O-N 2.93Å; Q187-D192 PolarHBondContact O-N 3.25Å
188	L	86.1	Confident	85.7	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	20%	0.197	C	C	.	.	I	π-helix	trans	-64.5	-49.3	178.3	-82.7	85.4	0	0	0	111.3	I182 N184 A185 D186 T190 V193 R390 L394	I182-L188 HydrophobicContact CG2-CD1 4.2Å; I182-L188 HydrophobicContact CG2-CD2 4.08Å; N184-L188 WeakPolarHBondContact O-CD1 3.23Å; N184-L188 PolarHBondContact O-N 3.32Å; A185-L188 PolarHBondContact O-N 3.23Å; D186-L188 VanDerWaalsContact C-N 3.35Å; D186-L188 PolarHBondContact O-N 3.3Å; L188-T190 VanDerWaalsContact C-N 3.33Å; L188-T190 PolarHBondContact O-N 3.18Å; L188-V193 WeakPolarHBondContact O-CG2 3.34Å; L188-V193 PolarHBondContact O-N 3.42Å; L188-R390 HydrophobicContact CD2-CB 4.07Å; L188-L394 HydrophobicContact CB-CD2 4.17Å; L188-L394 HydrophobicContact CD2-CB 4.2Å; L188-L394 HydrophobicContact CD2-CD2 4.47Å
189	L	90.4	Very high	86.4	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	20%	0.197	C	C	.	.	I	π-helix	trans	-67.1	-31.7	-176.8	-72.5	167.8	0	0	0	112.9	L162 Y163 Y166 A185 D186 L394	L162-L189 HydrophobicContact CB-CD2 3.68Å; L162-L189 HydrophobicContact CD1-CD2 4.27Å; L162-L189 HydrophobicContact CG-CD2 4.5Å; Y163-L189 HydrophobicContact CE1-CD1 4.19Å; Y166-L189 HydrophobicContact CD1-CD1 3.93Å; Y166-L189 HydrophobicContact CD2-CD1 4.18Å; Y166-L189 HydrophobicContact CE1-CD1 4.11Å; Y166-L189 HydrophobicContact CE2-CD1 4.35Å; Y166-L189 HydrophobicContact CG-CD1 3.95Å; A185-L189 WeakPolarHBondContact O-CB 2.99Å; A185-L189 WeakPolarHBondContact O-CG 3.36Å; A185-L189 PolarHBondContact O-N 3.15Å; D186-L189 PolarHBondContact O-N 2.95Å; L189-L394 HydrophobicContact CD2-CD2 3.79Å; L189-L394 HydrophobicContact CG-CD2 4.17Å
190	T	90.2	Very high	87	Confident	58 Å²	58	37.1 Å²	37.1	36%	0.356	20%	0.201	S	C	.	.	I	π-helix	trans	-94.4	-64.4	-176.3	58.6	0	0	0	0	112.9	D186 L188	D186-T190 WeakPolarHBondContact O-CB 3.38Å; D186-T190 WeakPolarHBondContact O-CG2 3.27Å; D186-T190 PolarHBondContact O-N 2.6Å; D186-T190 PolarHBondContact O-OG1 3.31Å; L188-T190 VanDerWaalsContact C-N 3.33Å; L188-T190 PolarHBondContact O-N 3.18Å
191	Q	89.5	Confident	87.7	Confident	61 Å²	61	32.4 Å²	32.4	29%	0.285	18%	0.176	S	C	.	.	I	π-helix	trans	-88	-41.6	-168.4	-63.8	-173.1	5.2	0	0	113.2	Q187 E194 K195	Q187-Q191 HydrophobicContact CG-CB 4.5Å; Q187-Q191 PolarHBondContact O-N 2.93Å; Q191-E194 PolarHBondContact O-N 3Å; Q191-K195 WeakPolarHBondContact O-CG 3.25Å; Q191-K195 PolarHBondContact O-N 3.26Å
192	D	89.2	Confident	88.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-71.8	-36.6	-176.3	-76	4.8	0	0	0	111.4	Q187 E194 K195 F196 F387 R390	Q187-D192 PolarHBondContact O-N 3.25Å; D192-E194 VanDerWaalsContact C-N 3.34Å; D192-K195 PolarHBondContact O-N 3.38Å; D192-F196 WeakPolarHBondContact O-CB 3.26Å; D192-F196 PolarHBondContact O-N 2.94Å; D192-F387 HydrophobicContact CB-CD1 4.08Å; D192-F387 HydrophobicContact CB-CE1 4.45Å; D192-R390 IonicContact OD1-NH1 2.68Å; D192-R390 WeakPolarHBondContact OD2-CD 3.48Å; D192-R390 IonicContact OD2-CZ 3.38Å; D192-R390 IonicContact OD2-NE 3.78Å; D192-R390 PolarHBondContact OD2-NE 3.43Å; D192-R390 IonicContact OD2-NH1 3.21Å; D192-R390 PolarHBondContact OD2-NH1 3.34Å
193	V	92.8	Very high	88.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-44.6	171.5	170.3	0	0	0	0	111.1	L158 T159 L162 L188 F196 C197 I391	L158-V193 HydrophobicContact CB-CG1 4.28Å; L158-V193 HydrophobicContact CD2-CG1 3.98Å; L158-V193 HydrophobicContact CG-CG1 4.01Å; T159-V193 WeakPolarHBondContact OG1-CG1 2.93Å; L162-V193 HydrophobicContact CD1-CG2 3.49Å; L162-V193 VanDerWaalsContact CD1-CG2 3.49Å; L188-V193 WeakPolarHBondContact O-CG2 3.34Å; L188-V193 PolarHBondContact O-N 3.42Å; V193-F196 PolarHBondContact O-N 2.88Å; V193-C197 PolarHBondContact O-N 2.92Å; V193-C197 PolarHBondContact O-SG 2.79Å; V193-I391 HydrophobicContact CG2-CD1 4.38Å
194	E	93.9	Very high	89.6	Confident	70 Å²	70	31.6 Å²	31.6	33%	0.327	16%	0.162	S	C	.	.	H	α-helix	trans	-60.9	-52.6	175.2	179.7	-175.4	154.8	0	0	111.8	R155 Q191 D192 F196 C197 N198	R155-E194 IonicContact CZ-OE2 2.67Å; R155-E194 IonicContact NH1-OE1 3.94Å; R155-E194 IonicContact NH1-OE2 2.96Å; R155-E194 PolarHBondContact NH1-OE2 3.14Å; R155-E194 IonicContact NH2-OE2 3.63Å; R155-E194 PolarHBondContact NH2-OE2 3.43Å; Q191-E194 PolarHBondContact O-N 3Å; D192-E194 VanDerWaalsContact C-N 3.34Å; E194-F196 PolarHBondContact O-N 3.41Å; E194-C197 PolarHBondContact O-N 3.07Å; E194-N198 WeakPolarHBondContact O-CB 3.31Å; E194-N198 PolarHBondContact O-N 3.5Å
195	K	91.6	Very high	90.1	Very high	62 Å²	62	28.9 Å²	28.9	27%	0.27	15%	0.148	S	C	.	.	H	α-helix	trans	-61.2	-35	-179.5	-70.5	175.5	-173.7	171.6	0	111.8	Q191 D192 S199 F387	Q191-K195 WeakPolarHBondContact O-CG 3.25Å; Q191-K195 PolarHBondContact O-N 3.26Å; D192-K195 PolarHBondContact O-N 3.38Å; K195-S199 VanDerWaalsContact O-CB 3.24Å; K195-S199 WeakPolarHBondContact O-CB 3.4Å; K195-S199 PolarHBondContact O-N 3.17Å; K195-S199 PolarHBondContact O-OG 3.02Å; K195-F387 HydrophobicContact CB-CD2 4.27Å; K195-F387 HydrophobicContact CB-CE1 4.11Å; K195-F387 HydrophobicContact CB-CE2 3.67Å; K195-F387 HydrophobicContact CB-CZ 3.61Å; K195-F387 HydrophobicContact CD-CE1 4Å; K195-F387 HydrophobicContact CD-CE2 4.45Å; K195-F387 HydrophobicContact CD-CZ 3.61Å; K195-F387 HydrophobicContact CG-CZ 4.23Å
196	F	92.7	Very high	90.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-56	173.8	173.4	-97	0	0	0	111.2	I70 M74 L158 D192 V193 E194 N198 S199 V200 L384 F387 T388 I391	I70-F196 HydrophobicContact CB-CZ 4.17Å; I70-F196 HydrophobicContact CD1-CE2 4.43Å; I70-F196 HydrophobicContact CD1-CZ 4.15Å; I70-F196 HydrophobicContact CG2-CE1 3.52Å; I70-F196 HydrophobicContact CG2-CZ 3.58Å; M74-F196 HydrophobicContact CE-CE1 4.17Å; M74-F196 HydrophobicContact SD-CE1 3.74Å; M74-F196 HydrophobicContact SD-CZ 4.46Å; L158-F196 HydrophobicContact CD2-CD1 3.72Å; L158-F196 HydrophobicContact CD2-CE1 3.88Å; D192-F196 WeakPolarHBondContact O-CB 3.26Å; D192-F196 PolarHBondContact O-N 2.94Å; V193-F196 PolarHBondContact O-N 2.88Å; E194-F196 PolarHBondContact O-N 3.41Å; F196-N198 VanDerWaalsContact C-N 3.3Å; F196-N198 PolarHBondContact O-N 3.28Å; F196-S199 PolarHBondContact O-N 3.05Å; F196-S199 VanDerWaalsContact O-N 3.07Å; F196-V200 HydrophobicContact CD1-CG2 4.29Å; F196-V200 HydrophobicContact CD2-CG2 4.31Å; F196-V200 HydrophobicContact CE1-CG2 3.88Å; F196-V200 HydrophobicContact CE2-CG2 3.91Å; F196-V200 HydrophobicContact CG-CG2 4.48Å; F196-V200 HydrophobicContact CZ-CG2 3.67Å; F196-V200 WeakPolarHBondContact O-CG2 3.37Å; F196-V200 PolarHBondContact O-N 3.23Å; F196-L384 HydrophobicContact CD2-CD1 3.49Å; F196-L384 VanDerWaalsContact CD2-CD1 3.49Å; F196-L384 HydrophobicContact CE2-CD1 3.57Å; F196-L384 HydrophobicContact CG-CD1 4.43Å; F196-F387 HydrophobicContact CB-CB 3.99Å; F196-F387 HydrophobicContact CD2-CB 4.01Å; F196-F387 HydrophobicContact CG-CB 4.48Å; F196-T388 WeakPolarHBondContact CE2-OG1 3.34Å; F196-I391 HydrophobicContact CB-CD1 3.43Å; F196-I391 VanDerWaalsContact CB-CD1 3.43Å; F196-I391 HydrophobicContact CD1-CD1 3.85Å; F196-I391 HydrophobicContact CD2-CD1 3.87Å; F196-I391 HydrophobicContact CG-CD1 3.43Å; F196-I391 VanDerWaalsContact CG-CD1 3.43Å
197	C	94.3	Very high	90.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.1	-44.2	-179.6	-69.7	0	0	0	0	111.9	F154 R155 V193 E194 V200 V201	F154-C197 VanDerWaalsContact C-SG 3.59Å; F154-C197 HydrophobicContact CB-CB 4.13Å; R155-C197 HydrophobicContact CB-CB 4.41Å; V193-C197 PolarHBondContact O-N 2.92Å; V193-C197 PolarHBondContact O-SG 2.79Å; E194-C197 PolarHBondContact O-N 3.07Å; C197-V200 PolarHBondContact O-N 2.81Å; C197-V201 PolarHBondContact O-N 3.21Å
198	N	93.9	Very high	90.3	Very high	48 Å²	48	30.2 Å²	30.2	26%	0.257	16%	0.156	S	C	.	.	H	α-helix	trans	-60.2	-47.9	175.2	-71.1	-16.4	0	0	0	111.4	K151 E194 F196 V200 V201 D202	K151-N198 WeakPolarHBondContact CD-OD1 3.38Å; E194-N198 WeakPolarHBondContact O-CB 3.31Å; E194-N198 PolarHBondContact O-N 3.5Å; F196-N198 VanDerWaalsContact C-N 3.3Å; F196-N198 PolarHBondContact O-N 3.28Å; N198-V200 VanDerWaalsContact C-N 3.34Å; N198-V200 PolarHBondContact O-N 3.15Å; N198-V201 PolarHBondContact O-N 2.68Å; N198-D202 VanDerWaalsContact O-CB 3.3Å; N198-D202 WeakPolarHBondContact O-CB 3.42Å; N198-D202 PolarHBondContact O-N 2.99Å
199	S	91.6	Very high	90.2	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-34.9	-179.7	-62.8	0	0	0	0	113.1	K195 F196 L203 R383	K195-S199 VanDerWaalsContact O-CB 3.24Å; K195-S199 WeakPolarHBondContact O-CB 3.4Å; K195-S199 PolarHBondContact O-N 3.17Å; K195-S199 PolarHBondContact O-OG 3.02Å; F196-S199 PolarHBondContact O-N 3.05Å; F196-S199 VanDerWaalsContact O-N 3.07Å; S199-L203 WeakPolarHBondContact O-CB 3.47Å; S199-L203 PolarHBondContact O-N 3.4Å; S199-R383 PolarHBondContact OG-NE 2.67Å; S199-R383 PolarHBondContact OG-NH2 3.39Å
200	V	92.4	Very high	90	Very high	15 Å²	15	30.4 Å²	30.4	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-48.5	176.7	170.6	0	0	0	0	110.7	L71 F154 F196 C197 N198 L203 Y204 L384	L71-V200 HydrophobicContact CD2-CG1 3.86Å; F154-V200 HydrophobicContact CE2-CG1 4.17Å; F196-V200 HydrophobicContact CD1-CG2 4.29Å; F196-V200 HydrophobicContact CD2-CG2 4.31Å; F196-V200 HydrophobicContact CE1-CG2 3.88Å; F196-V200 HydrophobicContact CE2-CG2 3.91Å; F196-V200 HydrophobicContact CG-CG2 4.48Å; F196-V200 HydrophobicContact CZ-CG2 3.67Å; F196-V200 WeakPolarHBondContact O-CG2 3.37Å; F196-V200 PolarHBondContact O-N 3.23Å; C197-V200 PolarHBondContact O-N 2.81Å; N198-V200 VanDerWaalsContact C-N 3.34Å; N198-V200 PolarHBondContact O-N 3.15Å; V200-L203 PolarHBondContact O-N 2.78Å; V200-Y204 PolarHBondContact O-N 2.72Å; V200-L384 HydrophobicContact CG2-CD1 3.61Å; V200-L384 HydrophobicContact CG2-CD2 4.3Å
201	V	92.3	Very high	89.9	Confident	1 Å²	1	32 Å²	32	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-70.2	-40.9	-179	177.8	0	0	0	0	111.5	L147 L150 K151 F154 C197 N198 L203 Y204 S205	L147-V201 HydrophobicContact CB-CG1 4.33Å; L147-V201 HydrophobicContact CD2-CG1 3.6Å; L150-V201 HydrophobicContact CB-CG2 4.45Å; L150-V201 HydrophobicContact CD2-CG1 4.08Å; L150-V201 HydrophobicContact CD2-CG2 3.93Å; L150-V201 HydrophobicContact CG-CG2 3.94Å; K151-V201 HydrophobicContact CG-CB 3.66Å; K151-V201 HydrophobicContact CG-CG1 3.86Å; K151-V201 HydrophobicContact CG-CG2 3.8Å; F154-V201 HydrophobicContact CD2-CG2 3.48Å; F154-V201 VanDerWaalsContact CD2-CG2 3.48Å; F154-V201 HydrophobicContact CE2-CG2 3.71Å; F154-V201 HydrophobicContact CG-CG2 4.49Å; C197-V201 PolarHBondContact O-N 3.21Å; N198-V201 PolarHBondContact O-N 2.68Å; V201-L203 VanDerWaalsContact C-N 3.33Å; V201-L203 PolarHBondContact O-N 2.83Å; V201-Y204 WeakPolarHBondContact O-CB 3.36Å; V201-Y204 PolarHBondContact O-N 3.09Å; V201-S205 PolarHBondContact O-N 3.16Å
202	D	89.8	Confident	89.7	Confident	42 Å²	42	31.1 Å²	31.1	23%	0.225	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-44.1	175.8	-72.8	-28.7	0	0	0	110.7	K151 N198 Y204 S205 N206	K151-D202 WeakPolarHBondContact CE-OD1 3.31Å; K151-D202 IonicContact NZ-OD1 3.36Å; K151-D202 PolarHBondContact NZ-OD1 2.92Å; K151-D202 IonicContact NZ-OD2 2.68Å; K151-D202 PolarHBondContact NZ-OD2 2.69Å; N198-D202 VanDerWaalsContact O-CB 3.3Å; N198-D202 WeakPolarHBondContact O-CB 3.42Å; N198-D202 PolarHBondContact O-N 2.99Å; D202-Y204 VanDerWaalsContact C-N 3.33Å; D202-Y204 PolarHBondContact O-N 3.02Å; D202-S205 PolarHBondContact O-N 3.24Å; D202-N206 WeakPolarHBondContact O-CB 3.29Å; D202-N206 PolarHBondContact O-N 2.85Å; D202-N206 PolarHBondContact O-ND2 2.74Å
203	L	90.2	Very high	89.4	Confident	20 Å²	20	31.6 Å²	31.6	11%	0.105	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-42.3	175.9	-175.9	68.3	0	0	0	111.5	S199 V200 V201 S205 N206 L207 A377 E380 M381 L384	S199-L203 WeakPolarHBondContact O-CB 3.47Å; S199-L203 PolarHBondContact O-N 3.4Å; V200-L203 PolarHBondContact O-N 2.78Å; V201-L203 VanDerWaalsContact C-N 3.33Å; V201-L203 PolarHBondContact O-N 2.83Å; L203-S205 PolarHBondContact O-N 2.78Å; L203-N206 PolarHBondContact O-N 3.47Å; L203-L207 WeakPolarHBondContact O-CB 3.48Å; L203-L207 PolarHBondContact O-N 2.97Å; L203-A377 HydrophobicContact CD1-CB 4.06Å; L203-E380 HydrophobicContact CD1-CB 4.48Å; L203-M381 HydrophobicContact CD1-CB 4.46Å; L203-M381 HydrophobicContact CD2-CE 4.34Å; L203-M381 HydrophobicContact CD2-SD 3.49Å; L203-M381 WeakPolarHBondContact CD2-SD 3.48Å; L203-L384 HydrophobicContact CD2-CD2 3.57Å
204	Y	88.8	Confident	89	Confident	68 Å²	68	32.4 Å²	32.4	27%	0.267	17%	0.166	S	C	.	.	H	α-helix	trans	-57.4	-48.4	176	172.6	-113.9	0	0	0	111.7	L86 I89 V200 V201 D202 S208	L86-Y204 HydrophobicContact CD2-CD1 4.03Å; L86-Y204 HydrophobicContact CD2-CE1 3.71Å; L86-Y204 PolarHBondContact O-OH 2.8Å; I89-Y204 HydrophobicContact CB-CE1 4.06Å; I89-Y204 HydrophobicContact CG2-CD1 4.15Å; I89-Y204 HydrophobicContact CG2-CE1 3.53Å; V200-Y204 PolarHBondContact O-N 2.72Å; V201-Y204 WeakPolarHBondContact O-CB 3.36Å; V201-Y204 PolarHBondContact O-N 3.09Å; D202-Y204 VanDerWaalsContact C-N 3.33Å; D202-Y204 PolarHBondContact O-N 3.02Å; Y204-S208 WeakPolarHBondContact CD2-OG 3.39Å; Y204-S208 WeakPolarHBondContact CE2-OG 3Å; Y204-S208 WeakPolarHBondContact O-CB 3.39Å; Y204-S208 PolarHBondContact O-N 3.05Å; Y204-S208 PolarHBondContact O-OG 2.86Å
205	S	87.3	Confident	88.5	Confident	14 Å²	14	35.7 Å²	35.7	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-44.4	178.1	177.2	0	0	0	0	112.7	V201 D202 L203 L207 K209	V201-S205 PolarHBondContact O-N 3.16Å; D202-S205 PolarHBondContact O-N 3.24Å; L203-S205 PolarHBondContact O-N 2.78Å; S205-L207 VanDerWaalsContact C-N 3.26Å; S205-L207 PolarHBondContact O-N 3.04Å; S205-K209 PolarHBondContact O-N 2.72Å
206	N	86.3	Confident	88.1	Confident	58 Å²	58	35.7 Å²	35.7	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-71.2	-20.7	-176.3	-72.8	-21.2	0	0	0	113	D202 L203 P210 E380	D202-N206 WeakPolarHBondContact O-CB 3.29Å; D202-N206 PolarHBondContact O-N 2.85Å; D202-N206 PolarHBondContact O-ND2 2.74Å; L203-N206 PolarHBondContact O-N 3.47Å; N206-P210 WeakPolarHBondContact O-CD 3.37Å; N206-P210 WeakPolarHBondContact O-CG 3.46Å; N206-E380 PolarHBondContact ND2-OE1 2.76Å; N206-E380 PolarHBondContact ND2-OE2 2.96Å
207	L	86.7	Confident	87.5	Confident	67 Å²	67	35.9 Å²	35.9	35%	0.351	18%	0.183	S	C	.	.	H	α-helix	trans	-95.5	-45.8	174.7	-168.8	64.5	0	0	0	111.8	L203 S205 K209 P210 L211 I374	L203-L207 WeakPolarHBondContact O-CB 3.48Å; L203-L207 PolarHBondContact O-N 2.97Å; S205-L207 VanDerWaalsContact C-N 3.26Å; S205-L207 PolarHBondContact O-N 3.04Å; L207-K209 PolarHBondContact O-N 2.9Å; L207-P210 WeakPolarHBondContact O-CD 3.47Å; L207-L211 HydrophobicContact CD1-CD1 4.16Å; L207-L211 HydrophobicContact CD1-CG 4.41Å; L207-L211 HydrophobicContact CD2-CD1 4.47Å; L207-L211 HydrophobicContact CG-CD1 3.78Å; L207-L211 HydrophobicContact CG-CG 4.43Å; L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 WeakPolarHBondContact O-CG 3.42Å; L207-L211 PolarHBondContact O-N 2.87Å; L207-L211 VanDerWaalsContact O-N 3.16Å; L207-I374 HydrophobicContact CD1-CG1 4.42Å; L207-I374 HydrophobicContact CD1-CG2 4.12Å
208	S	86.7	Confident	86.8	Confident	38 Å²	38	37.8 Å²	37.8	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-42.3	-174.5	-56.5	0	0	0	0	112.4	Y204 L212	Y204-S208 WeakPolarHBondContact CD2-OG 3.39Å; Y204-S208 WeakPolarHBondContact CE2-OG 3Å; Y204-S208 WeakPolarHBondContact O-CB 3.39Å; Y204-S208 PolarHBondContact O-N 3.05Å; Y204-S208 PolarHBondContact O-OG 2.86Å; S208-L212 WeakPolarHBondContact O-CB 3.23Å; S208-L212 PolarHBondContact O-N 2.95Å; S208-L212 VanDerWaalsContact O-N 3.1Å
209	K	84.4	Confident	86.3	Confident	12 Å²	12	42.6 Å²	42.6	5%	0.052	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-55.4	179.7	179.6	170.6	-177.2	171.1	0	112.2	L93 D100 S205 L207 L211 L212 D213	L93-K209 HydrophobicContact CD2-CB 3.82Å; L93-K209 HydrophobicContact CD2-CD 4.33Å; L93-K209 HydrophobicContact CD2-CG 4.36Å; D100-K209 IonicContact OD2-NZ 2.85Å; D100-K209 PolarHBondContact OD2-NZ 3.22Å; S205-K209 PolarHBondContact O-N 2.72Å; L207-K209 PolarHBondContact O-N 2.9Å; K209-L211 VanDerWaalsContact C-N 3.28Å; K209-L211 PolarHBondContact O-N 3.26Å; K209-L212 WeakPolarHBondContact O-CB 3.22Å; K209-L212 PolarHBondContact O-N 3.4Å; K209-L212 VanDerWaalsContact O-N 3.14Å; K209-D213 WeakPolarHBondContact CE-OD2 3.21Å; K209-D213 PolarHBondContact O-N 2.89Å
210	P	86.6	Confident	85.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-33.8	179.7	-30.8	42	0	0	0	114.4	N206 L207 D213 I214 A370 R373 I374	N206-P210 WeakPolarHBondContact O-CD 3.37Å; N206-P210 WeakPolarHBondContact O-CG 3.46Å; L207-P210 WeakPolarHBondContact O-CD 3.47Å; P210-D213 PolarHBondContact O-N 3.34Å; P210-I214 VanDerWaalsContact O-CB 3.31Å; P210-I214 WeakPolarHBondContact O-CB 3.24Å; P210-I214 WeakPolarHBondContact O-CD1 3.26Å; P210-I214 WeakPolarHBondContact O-CG1 3.37Å; P210-I214 PolarHBondContact O-N 2.85Å; P210-A370 HydrophobicContact CB-CB 3.93Å; P210-A370 WeakPolarHBondContact CB-O 3.21Å; P210-R373 HydrophobicContact CG-CB 3.8Å; P210-I374 HydrophobicContact CB-CD1 3.84Å; P210-I374 HydrophobicContact CB-CG1 3.47Å; P210-I374 VanDerWaalsContact CB-CG1 3.47Å; P210-I374 HydrophobicContact CG-CG1 4.26Å
211	L	86.2	Confident	84.8	Confident	91 Å²	91	44.9 Å²	44.9	48%	0.476	22%	0.22	S	C	.	.	H	α-helix	trans	-63.3	-43.5	174.7	-74.3	174.6	0	0	0	111.5	L207 K209 I214 F215 I374	L207-L211 HydrophobicContact CD1-CD1 4.16Å; L207-L211 HydrophobicContact CD1-CG 4.41Å; L207-L211 HydrophobicContact CD2-CD1 4.47Å; L207-L211 HydrophobicContact CG-CD1 3.78Å; L207-L211 HydrophobicContact CG-CG 4.43Å; L207-L211 WeakPolarHBondContact O-CB 3.5Å; L207-L211 WeakPolarHBondContact O-CG 3.42Å; L207-L211 PolarHBondContact O-N 2.87Å; L207-L211 VanDerWaalsContact O-N 3.16Å; K209-L211 VanDerWaalsContact C-N 3.28Å; K209-L211 PolarHBondContact O-N 3.26Å; L211-I214 PolarHBondContact O-N 3.06Å; L211-F215 WeakPolarHBondContact O-CB 3.45Å; L211-F215 PolarHBondContact O-N 2.84Å; L211-I374 HydrophobicContact CD2-CD1 3.82Å; L211-I374 HydrophobicContact CG-CD1 4.14Å
212	L	85.6	Confident	84.2	Confident	42 Å²	42	46.3 Å²	46.3	22%	0.22	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-46	175.5	-176.7	68.8	0	0	0	111.6	V94 T97 S208 K209 I214 F215 L216	V94-L212 HydrophobicContact CB-CD2 4.31Å; V94-L212 HydrophobicContact CG2-CD2 3.82Å; T97-L212 HydrophobicContact CG2-CD2 4.45Å; S208-L212 WeakPolarHBondContact O-CB 3.23Å; S208-L212 PolarHBondContact O-N 2.95Å; S208-L212 VanDerWaalsContact O-N 3.1Å; K209-L212 WeakPolarHBondContact O-CB 3.22Å; K209-L212 PolarHBondContact O-N 3.4Å; K209-L212 VanDerWaalsContact O-N 3.14Å; L212-I214 PolarHBondContact O-N 3.49Å; L212-F215 PolarHBondContact O-N 3.39Å; L212-L216 HydrophobicContact CD1-CD1 4.13Å; L212-L216 HydrophobicContact CD1-CG 4.39Å; L212-L216 HydrophobicContact CG-CD1 4.01Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CG 3.5Å; L212-L216 PolarHBondContact O-N 2.9Å
213	D	83.9	Confident	83.5	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-47.6	177.8	-69.1	-11.6	0	0	0	110.3	T97 K209 P210 L216 Y217 A370	T97-D213 WeakPolarHBondContact CG2-OD1 3.04Å; T97-D213 PolarHBondContact OG1-OD1 3.4Å; K209-D213 WeakPolarHBondContact CE-OD2 3.21Å; K209-D213 PolarHBondContact O-N 2.89Å; P210-D213 PolarHBondContact O-N 3.34Å; D213-L216 PolarHBondContact O-N 2.96Å; D213-Y217 HydrophobicContact CB-CD2 4.16Å; D213-Y217 HydrophobicContact CB-CE2 3.88Å; D213-Y217 WeakPolarHBondContact O-CB 3.21Å; D213-Y217 WeakPolarHBondContact O-CD2 3.3Å; D213-Y217 VanDerWaalsContact O-CG 3.23Å; D213-Y217 PolarHBondContact O-N 2.72Å; D213-A370 HydrophobicContact CB-CB 4.17Å
214	I	83.8	Confident	82.5	Confident	16 Å²	16	48.3 Å²	48.3	8%	0.082	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-46.5	177.5	-71.4	167.9	0	0	0	110.9	P210 L211 L212 L216 Y217 I218 M367 A370 I374	P210-I214 VanDerWaalsContact O-CB 3.31Å; P210-I214 WeakPolarHBondContact O-CB 3.24Å; P210-I214 WeakPolarHBondContact O-CD1 3.26Å; P210-I214 WeakPolarHBondContact O-CG1 3.37Å; P210-I214 PolarHBondContact O-N 2.85Å; L211-I214 PolarHBondContact O-N 3.06Å; L212-I214 PolarHBondContact O-N 3.49Å; I214-L216 PolarHBondContact O-N 3.3Å; I214-Y217 PolarHBondContact O-N 3.24Å; I214-I218 HydrophobicContact CG2-CD1 3.45Å; I214-I218 VanDerWaalsContact CG2-CD1 3.45Å; I214-I218 HydrophobicContact CG2-CG1 4.22Å; I214-I218 VanDerWaalsContact O-CB 3.31Å; I214-I218 WeakPolarHBondContact O-CB 3.44Å; I214-I218 WeakPolarHBondContact O-CD1 3.48Å; I214-I218 WeakPolarHBondContact O-CG1 3.19Å; I214-I218 PolarHBondContact O-N 3.18Å; I214-M367 HydrophobicContact CB-CG 4.49Å; I214-M367 HydrophobicContact CG1-CG 3.98Å; I214-A370 HydrophobicContact CD1-CB 4.29Å; I214-A370 HydrophobicContact CG1-CB 3.92Å; I214-I374 HydrophobicContact CD1-CD1 3.48Å; I214-I374 VanDerWaalsContact CD1-CD1 3.48Å
215	F	84.5	Confident	81.5	Confident	139 Å²	139	46.3 Å²	46.3	61%	0.61	25%	0.247	S	C	*	.	H	α-helix	trans	-59.1	-48.6	179.3	179.4	-99.8	0	0	0	111.9	L211 L212 I218 F219	L211-F215 WeakPolarHBondContact O-CB 3.45Å; L211-F215 PolarHBondContact O-N 2.84Å; L212-F215 PolarHBondContact O-N 3.39Å; F215-I218 PolarHBondContact O-N 3.38Å; F215-F219 PolarHBondContact O-N 3.25Å; F215-F219 VanDerWaalsContact O-N 3.1Å
216	L	82.4	Confident	80.9	Confident	62 Å²	62	47 Å²	47	33%	0.325	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-41.4	-179.6	-70.5	173.8	0	0	0	112.6	T97 L212 D213 I214 F219 K220	T97-L216 HydrophobicContact CG2-CD1 3.46Å; T97-L216 VanDerWaalsContact CG2-CD1 3.46Å; L212-L216 HydrophobicContact CD1-CD1 4.13Å; L212-L216 HydrophobicContact CD1-CG 4.39Å; L212-L216 HydrophobicContact CG-CD1 4.01Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CG 3.5Å; L212-L216 PolarHBondContact O-N 2.9Å; D213-L216 PolarHBondContact O-N 2.96Å; I214-L216 PolarHBondContact O-N 3.3Å; L216-F219 PolarHBondContact O-N 3.03Å; L216-K220 PolarHBondContact O-N 3.23Å
217	Y	80.7	Confident	80.4	Confident	5 Å²	5	47.9 Å²	47.9	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-69.9	-35.3	177.9	-66.4	-43.6	0	0	0	112.3	V101 D213 I214 K220 L221 M363 R366 M367	V101-Y217 HydrophobicContact CG2-CE1 4.03Å; D213-Y217 HydrophobicContact CB-CD2 4.16Å; D213-Y217 HydrophobicContact CB-CE2 3.88Å; D213-Y217 WeakPolarHBondContact O-CB 3.21Å; D213-Y217 WeakPolarHBondContact O-CD2 3.3Å; D213-Y217 VanDerWaalsContact O-CG 3.23Å; D213-Y217 PolarHBondContact O-N 2.72Å; I214-Y217 PolarHBondContact O-N 3.24Å; Y217-K220 PolarHBondContact O-N 3.08Å; Y217-L221 WeakPolarHBondContact O-CB 3.4Å; Y217-L221 PolarHBondContact O-N 2.93Å; Y217-M363 HydrophobicContact CD1-CB 4.07Å; Y217-M363 HydrophobicContact CD1-CG 4.07Å; Y217-M363 HydrophobicContact CE1-CG 4.23Å; Y217-R366 HydrophobicContact CD2-CB 4.34Å; Y217-R366 HydrophobicContact CE2-CB 3.59Å; Y217-M367 HydrophobicContact CD2-CB 4.19Å; Y217-M367 HydrophobicContact CD2-CG 4.49Å
218	I	79.6	Confident	80.1	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.205	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-46.8	172.5	-74.2	168.4	0	0	0	110.4	I214 F215 K220 L221 A222 P230 M234 M367	I214-I218 HydrophobicContact CG2-CD1 3.45Å; I214-I218 VanDerWaalsContact CG2-CD1 3.45Å; I214-I218 HydrophobicContact CG2-CG1 4.22Å; I214-I218 VanDerWaalsContact O-CB 3.31Å; I214-I218 WeakPolarHBondContact O-CB 3.44Å; I214-I218 WeakPolarHBondContact O-CD1 3.48Å; I214-I218 WeakPolarHBondContact O-CG1 3.19Å; I214-I218 PolarHBondContact O-N 3.18Å; F215-I218 PolarHBondContact O-N 3.38Å; I218-K220 PolarHBondContact O-N 2.94Å; I218-L221 PolarHBondContact O-N 3.33Å; I218-A222 WeakPolarHBondContact O-CB 3.5Å; I218-A222 PolarHBondContact O-N 3.17Å; I218-P230 HydrophobicContact CG2-CB 4.06Å; I218-M234 HydrophobicContact CD1-CE 3.3Å; I218-M367 HydrophobicContact CG1-SD 3.92Å
219	F	81.8	Confident	79.6	Confident	148 Å²	148	49.7 Å²	49.7	65%	0.649	28%	0.277	S	S	*	.	H	α-helix	trans	-61.3	-46.6	-179.8	-171.3	-94.6	0	0	0	111.5	F215 L216 S223	F215-F219 PolarHBondContact O-N 3.25Å; F215-F219 VanDerWaalsContact O-N 3.1Å; L216-F219 PolarHBondContact O-N 3.03Å; F219-S223 PolarHBondContact O-N 2.86Å
220	K	78.4	Confident	79.2	Confident	62 Å²	62	49.6 Å²	49.6	27%	0.27	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-44.2	176.1	-75.5	-164.8	173.1	-161.2	0	112.7	L216 Y217 I218 S223 A224 M363	L216-K220 PolarHBondContact O-N 3.23Å; Y217-K220 PolarHBondContact O-N 3.08Å; I218-K220 PolarHBondContact O-N 2.94Å; K220-S223 WeakPolarHBondContact CA-OG 3.27Å; K220-S223 CarbonylContact O-C 3.56Å; K220-S223 PolarHBondContact O-N 2.93Å; K220-S223 PolarHBondContact O-OG 3.27Å; K220-A224 WeakPolarHBondContact O-CB 3.33Å; K220-A224 PolarHBondContact O-N 3.2Å; K220-M363 HydrophobicContact CB-SD 4.23Å; K220-M363 HydrophobicContact CD-CE 4.04Å; K220-M363 HydrophobicContact CD-SD 4.3Å
221	L	75.8	Confident	79	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-69.8	-34.7	-179.2	-162	71.7	0	0	0	111.8	Y217 I218 S223 A224 I225 P230 M233	Y217-L221 WeakPolarHBondContact O-CB 3.4Å; Y217-L221 PolarHBondContact O-N 2.93Å; I218-L221 PolarHBondContact O-N 3.33Å; L221-S223 VanDerWaalsContact C-N 3.31Å; L221-A224 PolarHBondContact O-N 3.36Å; L221-I225 HydrophobicContact CD1-CD1 3.53Å; L221-I225 HydrophobicContact CD1-CG1 4.18Å; L221-I225 HydrophobicContact CG-CD1 4.1Å; L221-I225 PolarHBondContact O-N 3.4Å; L221-P230 HydrophobicContact CB-CG 4.17Å; L221-P230 HydrophobicContact CD2-CG 4.24Å; L221-P230 HydrophobicContact CG-CG 4.29Å; L221-M233 HydrophobicContact CD2-CE 3.59Å
222	A	79.3	Confident	78.8	Confident	32 Å²	32	51.9 Å²	51.9	26%	0.264	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-40.3	171.1	0	0	0	0	0	110.8	I218 A224 G226 P230	I218-A222 WeakPolarHBondContact O-CB 3.5Å; I218-A222 PolarHBondContact O-N 3.17Å; A222-A224 VanDerWaalsContact C-N 3.3Å; A222-A224 PolarHBondContact O-N 2.86Å; A222-G226 VanDerWaalsContact O-CA 3.23Å; A222-G226 WeakPolarHBondContact O-CA 3Å; A222-G226 PolarHBondContact O-N 2.87Å; A222-P230 HydrophobicContact CB-CG 4.11Å
223	S	75.1	Confident	78.4	Confident	69 Å²	69	50.1 Å²	50.1	48%	0.483	29%	0.288	S	S	.	.	H	α-helix	trans	-67.5	-27.7	173.8	75.8	0	0	0	0	113	F219 K220 L221 R344	F219-S223 PolarHBondContact O-N 2.86Å; K220-S223 WeakPolarHBondContact CA-OG 3.27Å; K220-S223 CarbonylContact O-C 3.56Å; K220-S223 PolarHBondContact O-N 2.93Å; K220-S223 PolarHBondContact O-OG 3.27Å; L221-S223 VanDerWaalsContact C-N 3.31Å; S223-R344 PolarHBondContact O-NH1 3.31Å; S223-R344 PolarHBondContact O-NH2 3.27Å
224	A	69.2	Low	78.2	Confident	35 Å²	35	53.1 Å²	53.1	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-92.2	-35.9	-177.5	0	0	0	0	0	114.9	K220 L221 A222 R344	K220-A224 WeakPolarHBondContact O-CB 3.33Å; K220-A224 PolarHBondContact O-N 3.2Å; L221-A224 PolarHBondContact O-N 3.36Å; A222-A224 VanDerWaalsContact C-N 3.3Å; A222-A224 PolarHBondContact O-N 2.86Å; A224-R344 PolarHBondContact O-NH1 2.94Å
225	I	67.9	Low	78.2	Confident	26 Å²	26	54.6 Å²	54.6	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-122.3	-7.4	-171	-59	-178.3	0	0	0	112.6	L221 V333 P336	L221-I225 HydrophobicContact CD1-CD1 3.53Å; L221-I225 HydrophobicContact CD1-CG1 4.18Å; L221-I225 HydrophobicContact CG-CD1 4.1Å; L221-I225 PolarHBondContact O-N 3.4Å; I225-V333 HydrophobicContact CD1-CB 4.42Å; I225-V333 HydrophobicContact CD1-CG1 4.43Å; I225-V333 HydrophobicContact CD1-CG2 4.07Å; I225-P336 HydrophobicContact CB-CG 4.27Å; I225-P336 HydrophobicContact CD1-CG 4.4Å; I225-P336 HydrophobicContact CG1-CG 4.1Å; I225-P336 HydrophobicContact CG2-CB 4.31Å; I225-P336 HydrophobicContact CG2-CG 3.59Å
226	G	74.1	Confident	78.2	Confident	27 Å²	27	49.9 Å²	49.9	28%	0.278	30%	0.295	S	S	.	.			trans	88.4	163.1	-172.9	0	0	0	0	0	112.9	A222 Q228 P230	A222-G226 VanDerWaalsContact O-CA 3.23Å; A222-G226 WeakPolarHBondContact O-CA 3Å; A222-G226 PolarHBondContact O-N 2.87Å; G226-Q228 VanDerWaalsContact C-N 3.3Å; G226-Q228 PolarHBondContact O-N 3.34Å; G226-P230 WeakPolarHBondContact O-CD 3.37Å
227	A	76.3	Confident	77.8	Confident	78 Å²	78	47.6 Å²	47.6	65%	0.645	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-21.3	-169.1	0	0	0	0	0	114.8	A231	A227-A231 WeakPolarHBondContact O-CB 3.37Å; A227-A231 PolarHBondContact O-N 3.24Å
228	Q	79.1	Confident	77.8	Confident	134 Å²	134	52.5 Å²	52.5	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-67.1	-37.6	-176.6	-65.6	-176.5	1.1	0	0	112.9	G226 A231 I232	G226-Q228 VanDerWaalsContact C-N 3.3Å; G226-Q228 PolarHBondContact O-N 3.34Å; Q228-A231 PolarHBondContact O-N 3.49Å; Q228-I232 WeakPolarHBondContact O-CG1 3.22Å; Q228-I232 PolarHBondContact O-N 3.31Å
229	G	76.2	Confident	78	Confident	9 Å²	9	56.4 Å²	56.4	9%	0.093	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-56.2	-179.7	0	0	0	0	0	113.4	A231 I232 M233 V332	G229-A231 PolarHBondContact O-N 3.5Å; G229-I232 PolarHBondContact O-N 3.42Å; G229-M233 PolarHBondContact O-N 2.83Å; G229-M233 VanDerWaalsContact O-N 3.16Å; G229-V332 VanDerWaalsContact CA-CG1 3.43Å
230	P	77.8	Confident	78.1	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-57.7	-33.1	174.6	-25.1	34	0	0	0	113.8	I218 L221 A222 G226 M233 M234	I218-P230 HydrophobicContact CG2-CB 4.06Å; L221-P230 HydrophobicContact CB-CG 4.17Å; L221-P230 HydrophobicContact CD2-CG 4.24Å; L221-P230 HydrophobicContact CG-CG 4.29Å; A222-P230 HydrophobicContact CB-CG 4.11Å; G226-P230 WeakPolarHBondContact O-CD 3.37Å; P230-M233 PolarHBondContact O-N 2.92Å; P230-M234 WeakPolarHBondContact O-CB 3.49Å; P230-M234 PolarHBondContact O-N 3.19Å
231	A	82.3	Confident	78	Confident	58 Å²	58	47.5 Å²	47.5	48%	0.479	30%	0.296	S	S	.	.	H	α-helix	trans	-66.2	-45.4	177.9	0	0	0	0	0	113	A227 Q228 G229 M233 M234 A235	A227-A231 WeakPolarHBondContact O-CB 3.37Å; A227-A231 PolarHBondContact O-N 3.24Å; Q228-A231 PolarHBondContact O-N 3.49Å; G229-A231 PolarHBondContact O-N 3.5Å; A231-M233 VanDerWaalsContact C-N 3.27Å; A231-M233 PolarHBondContact O-N 3.11Å; A231-M234 WeakPolarHBondContact O-CB 3.41Å; A231-M234 PolarHBondContact O-N 3.34Å; A231-A235 PolarHBondContact O-N 3.4Å
232	I	82	Confident	78.1	Confident	83 Å²	83	53.5 Å²	53.5	43%	0.426	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-42.2	175	-68.2	166.8	0	0	0	110.1	Q228 G229 A235 Y236 V332	Q228-I232 WeakPolarHBondContact O-CG1 3.22Å; Q228-I232 PolarHBondContact O-N 3.31Å; G229-I232 PolarHBondContact O-N 3.42Å; I232-A235 PolarHBondContact O-N 3.29Å; I232-Y236 PolarHBondContact O-N 3.01Å; I232-Y236 VanDerWaalsContact O-N 3.09Å; I232-V332 HydrophobicContact CB-CG2 4.36Å; I232-V332 HydrophobicContact CG2-CG2 4.16Å
233	M	77.2	Confident	78.3	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-48.3	178	-161.5	147.5	43.7	0	0	110.3	L221 G229 P230 A231 A235 Y236 L237 L364 M367	L221-M233 HydrophobicContact CD2-CE 3.59Å; G229-M233 PolarHBondContact O-N 2.83Å; G229-M233 VanDerWaalsContact O-N 3.16Å; P230-M233 PolarHBondContact O-N 2.92Å; A231-M233 VanDerWaalsContact C-N 3.27Å; A231-M233 PolarHBondContact O-N 3.11Å; M233-A235 VanDerWaalsContact C-N 3.32Å; M233-A235 PolarHBondContact O-N 3.08Å; M233-Y236 WeakPolarHBondContact O-CA 3.2Å; M233-Y236 WeakPolarHBondContact O-CB 3.37Å; M233-Y236 PolarHBondContact O-N 2.79Å; M233-Y236 VanDerWaalsContact O-N 3.08Å; M233-L237 HydrophobicContact CG-CD2 4.48Å; M233-L237 VanDerWaalsContact O-CG 3.25Å; M233-L237 WeakPolarHBondContact O-CG 3.35Å; M233-L237 PolarHBondContact O-N 3.27Å; M233-L364 HydrophobicContact CE-CD1 3.44Å; M233-L364 VanDerWaalsContact CE-CD1 3.44Å; M233-L364 HydrophobicContact CE-CG 3.75Å; M233-L364 HydrophobicContact SD-CD1 3.64Å; M233-L364 HydrophobicContact SD-CD2 4.26Å; M233-L364 HydrophobicContact SD-CG 3.75Å; M233-M367 HydrophobicContact CB-CE 4.2Å; M233-M367 HydrophobicContact CE-CE 3.1Å; M233-M367 HydrophobicContact CE-SD 4.02Å; M233-M367 HydrophobicContact CG-CE 3.37Å; M233-M367 HydrophobicContact SD-CE 3.29Å; M233-M367 WeakPolarHBondContact SD-CE 3.24Å
234	M	78.4	Confident	78.5	Confident	75 Å²	75	54.1 Å²	54.1	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-55	-42.9	175.3	-174	64.6	74.7	0	0	113.2	I218 P230 A231 Y236 L237 L238	I218-M234 HydrophobicContact CD1-CE 3.3Å; P230-M234 WeakPolarHBondContact O-CB 3.49Å; P230-M234 PolarHBondContact O-N 3.19Å; A231-M234 WeakPolarHBondContact O-CB 3.41Å; A231-M234 PolarHBondContact O-N 3.34Å; M234-Y236 VanDerWaalsContact C-N 3.33Å; M234-Y236 PolarHBondContact O-N 3.39Å; M234-L237 WeakPolarHBondContact O-CB 3.41Å; M234-L237 PolarHBondContact O-N 3.26Å; M234-L238 HydrophobicContact CG-CD1 4.33Å; M234-L238 PolarHBondContact O-N 2.91Å
235	A	84.4	Confident	78.8	Confident	47 Å²	47	56.2 Å²	56.2	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-44.6	176.7	0	0	0	0	0	111.3	A231 I232 M233 L237 L238 I239	A231-A235 PolarHBondContact O-N 3.4Å; I232-A235 PolarHBondContact O-N 3.29Å; M233-A235 VanDerWaalsContact C-N 3.32Å; M233-A235 PolarHBondContact O-N 3.08Å; A235-L237 PolarHBondContact O-N 2.89Å; A235-L238 PolarHBondContact O-N 2.87Å; A235-I239 VanDerWaalsContact O-CG1 3.3Å; A235-I239 WeakPolarHBondContact O-CG1 2.98Å; A235-I239 PolarHBondContact O-N 3.45Å; A235-I239 VanDerWaalsContact O-N 3.09Å
236	Y	84.3	Confident	79.2	Confident	40 Å²	40	63.1 Å²	63.1	16%	0.157	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-43.4	173.5	173.6	-97.1	0	0	0	112.3	I232 M233 M234 L238 I239 S240 I320 V324 A325 V328	I232-Y236 PolarHBondContact O-N 3.01Å; I232-Y236 VanDerWaalsContact O-N 3.09Å; M233-Y236 WeakPolarHBondContact O-CA 3.2Å; M233-Y236 WeakPolarHBondContact O-CB 3.37Å; M233-Y236 PolarHBondContact O-N 2.79Å; M233-Y236 VanDerWaalsContact O-N 3.08Å; M234-Y236 VanDerWaalsContact C-N 3.33Å; M234-Y236 PolarHBondContact O-N 3.39Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; Y236-L238 PolarHBondContact O-N 2.79Å; Y236-I239 PolarHBondContact O-N 3.17Å; Y236-S240 VanDerWaalsContact O-CB 3.29Å; Y236-S240 WeakPolarHBondContact O-CB 3.33Å; Y236-S240 PolarHBondContact O-N 2.78Å; Y236-S240 PolarHBondContact O-OG 3.25Å; Y236-I320 PolarHBondContact OH-O 2.67Å; Y236-V324 HydrophobicContact CE2-CG1 3.65Å; Y236-V324 VanDerWaalsContact OH-CB 3.32Å; Y236-V324 WeakPolarHBondContact OH-CB 3.48Å; Y236-V324 VanDerWaalsContact OH-CG1 3.25Å; Y236-V324 WeakPolarHBondContact OH-CG1 3.44Å; Y236-A325 HydrophobicContact CE1-CB 3.81Å; Y236-A325 PolarHBondContact OH-N 3.45Å; Y236-V328 HydrophobicContact CD2-CG2 4Å; Y236-V328 HydrophobicContact CE2-CG2 4.22Å; Y236-V328 HydrophobicContact CG-CG1 4.45Å; Y236-V328 HydrophobicContact CG-CG2 4.2Å
237	L	74.8	Confident	79.4	Confident	14 Å²	14	65.1 Å²	65.1	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-44.2	178.4	-59.7	-175.4	0	0	0	111.7	M233 M234 A235 S240 G241 M367 L371	M233-L237 HydrophobicContact CG-CD2 4.48Å; M233-L237 VanDerWaalsContact O-CG 3.25Å; M233-L237 WeakPolarHBondContact O-CG 3.35Å; M233-L237 PolarHBondContact O-N 3.27Å; M234-L237 WeakPolarHBondContact O-CB 3.41Å; M234-L237 PolarHBondContact O-N 3.26Å; A235-L237 PolarHBondContact O-N 2.89Å; L237-S240 PolarHBondContact O-OG 3.27Å; L237-G241 PolarHBondContact O-N 2.68Å; L237-M367 HydrophobicContact CD1-CE 4.24Å; L237-L371 HydrophobicContact CB-CD1 3.41Å; L237-L371 VanDerWaalsContact CB-CD1 3.41Å; L237-L371 HydrophobicContact CD1-CD1 3.89Å; L237-L371 HydrophobicContact CD2-CB 3.93Å; L237-L371 HydrophobicContact CD2-CD1 3.33Å; L237-L371 HydrophobicContact CD2-CD2 3.34Å; L237-L371 HydrophobicContact CD2-CG 3.62Å; L237-L371 HydrophobicContact CG-CD1 3.59Å; L237-L371 HydrophobicContact CG-CD2 4.47Å; L237-L371 HydrophobicContact CG-CG 4.42Å
238	L	79.6	Confident	79.2	Confident	108 Å²	108	61.9 Å²	61.9	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-66.4	-47.8	179.5	-75.8	168.7	0	0	0	112	M234 A235 Y236 G241 L242	M234-L238 HydrophobicContact CG-CD1 4.33Å; M234-L238 PolarHBondContact O-N 2.91Å; A235-L238 PolarHBondContact O-N 2.87Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; Y236-L238 PolarHBondContact O-N 2.79Å; L238-G241 PolarHBondContact O-N 3.32Å; L238-L242 WeakPolarHBondContact O-CG 3.19Å; L238-L242 PolarHBondContact O-N 2.98Å
239	I	85.2	Confident	79	Confident	121 Å²	121	63.6 Å²	63.6	62%	0.621	33%	0.325	S	S	*	.	H	α-helix	trans	-64.6	-48.9	-178	-65.7	166.7	0	0	0	110.6	A235 Y236 G241 L242 F243	A235-I239 VanDerWaalsContact O-CG1 3.3Å; A235-I239 WeakPolarHBondContact O-CG1 2.98Å; A235-I239 PolarHBondContact O-N 3.45Å; A235-I239 VanDerWaalsContact O-N 3.09Å; Y236-I239 PolarHBondContact O-N 3.17Å; I239-G241 PolarHBondContact O-N 3.14Å; I239-L242 PolarHBondContact O-N 3.25Å; I239-F243 PolarHBondContact O-N 3.31Å; I239-F243 VanDerWaalsContact O-N 3.09Å
240	S	82.1	Confident	79.1	Confident	7 Å²	7	66 Å²	66	5%	0.049	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-41.1	178.9	58.7	0	0	0	0	112.2	Y236 L237 F243 L244	Y236-S240 VanDerWaalsContact O-CB 3.29Å; Y236-S240 WeakPolarHBondContact O-CB 3.33Å; Y236-S240 PolarHBondContact O-N 2.78Å; Y236-S240 PolarHBondContact O-OG 3.25Å; L237-S240 PolarHBondContact O-OG 3.27Å; S240-F243 PolarHBondContact O-N 3.27Å; S240-L244 WeakPolarHBondContact O-CB 3.36Å; S240-L244 VanDerWaalsContact O-CG 3.31Å; S240-L244 WeakPolarHBondContact O-CG 3.45Å; S240-L244 PolarHBondContact O-N 3.46Å
241	G	76.6	Confident	79	Confident	17 Å²	17	66.4 Å²	66.4	18%	0.175	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-45.1	176.6	0	0	0	0	0	113.2	L237 L238 I239 T245	L237-G241 PolarHBondContact O-N 2.68Å; L238-G241 PolarHBondContact O-N 3.32Å; I239-G241 PolarHBondContact O-N 3.14Å; G241-T245 WeakPolarHBondContact O-CB 3.36Å; G241-T245 PolarHBondContact O-N 3.06Å; G241-T245 PolarHBondContact O-OG1 3.12Å
242	L	79.1	Confident	78.4	Confident	129 Å²	129	64.2 Å²	64.2	68%	0.675	32%	0.324	S	S	*	.	H	α-helix	trans	-63.2	-44.6	177.4	-73.5	172	0	0	0	111.9	L238 I239 T245 R246	L238-L242 WeakPolarHBondContact O-CG 3.19Å; L238-L242 PolarHBondContact O-N 2.98Å; I239-L242 PolarHBondContact O-N 3.25Å; L242-T245 PolarHBondContact O-N 2.98Å; L242-R246 PolarHBondContact O-N 3.22Å; L242-R246 VanDerWaalsContact O-N 3.11Å
243	F	83.7	Confident	78.1	Confident	115 Å²	115	67.8 Å²	67.8	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-60.2	-50.9	177.8	179.2	-98.9	0	0	0	111.9	I239 S240 T245 R246 L247 I320	I239-F243 PolarHBondContact O-N 3.31Å; I239-F243 VanDerWaalsContact O-N 3.09Å; S240-F243 PolarHBondContact O-N 3.27Å; F243-T245 VanDerWaalsContact C-N 3.29Å; F243-T245 PolarHBondContact O-N 3.17Å; F243-R246 PolarHBondContact O-N 3.43Å; F243-L247 PolarHBondContact O-N 3.49Å; F243-L247 VanDerWaalsContact O-N 3.11Å; F243-I320 HydrophobicContact CD1-CD1 3.66Å; F243-I320 HydrophobicContact CE1-CD1 3.59Å
244	L	78.3	Confident	78.2	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-32.5	-180	-70	178.1	0	0	0	112.7	S240 R248 V316 D317 I320 V375	S240-L244 WeakPolarHBondContact O-CB 3.36Å; S240-L244 VanDerWaalsContact O-CG 3.31Å; S240-L244 WeakPolarHBondContact O-CG 3.45Å; S240-L244 PolarHBondContact O-N 3.46Å; L244-R248 WeakPolarHBondContact O-CG 3.46Å; L244-R248 PolarHBondContact O-N 2.82Å; L244-R248 PolarHBondContact O-NE 3.09Å; L244-V316 HydrophobicContact CD2-CG1 4.01Å; L244-D317 WeakPolarHBondContact CD2-OD1 3.25Å; L244-I320 HydrophobicContact CD1-CB 4.27Å; L244-I320 HydrophobicContact CD1-CG2 3.97Å; L244-I320 HydrophobicContact CD2-CB 4.41Å; L244-I320 HydrophobicContact CD2-CD1 3.85Å; L244-I320 HydrophobicContact CG-CD1 4.45Å; L244-I320 HydrophobicContact CG-CG2 4.29Å; L244-V375 HydrophobicContact CB-CG1 4.23Å; L244-V375 HydrophobicContact CD1-CG1 3.43Å; L244-V375 VanDerWaalsContact CD1-CG1 3.43Å; L244-V375 HydrophobicContact CG-CG1 4.48Å
245	T	74.9	Confident	78.1	Confident	79 Å²	79	67.5 Å²	67.5	49%	0.485	34%	0.337	S	S	.	.	H	α-helix	trans	-68.2	-40.7	176.5	-57.8	0	0	0	0	111.3	G241 L242 F243 R248	G241-T245 WeakPolarHBondContact O-CB 3.36Å; G241-T245 PolarHBondContact O-N 3.06Å; G241-T245 PolarHBondContact O-OG1 3.12Å; L242-T245 PolarHBondContact O-N 2.98Å; F243-T245 VanDerWaalsContact C-N 3.29Å; F243-T245 PolarHBondContact O-N 3.17Å; T245-R248 PolarHBondContact O-N 2.88Å
246	R	76.3	Confident	77.4	Confident	170 Å²	170	69 Å²	69	64%	0.642	34%	0.34	S	S	*	.	H	α-helix	trans	-67.1	-40.3	178.1	-168.7	170.4	178.3	95	-2.8	112.1	L242 F243 R248 R249	L242-R246 PolarHBondContact O-N 3.22Å; L242-R246 VanDerWaalsContact O-N 3.11Å; F243-R246 PolarHBondContact O-N 3.43Å; R246-R248 VanDerWaalsContact C-N 3.26Å; R246-R248 PolarHBondContact O-N 3.22Å; R246-R249 WeakPolarHBondContact O-CG 3.34Å; R246-R249 PolarHBondContact O-N 3.26Å
247	L	78.2	Confident	77.2	Confident	69 Å²	69	69.6 Å²	69.6	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-30.8	178.5	-166.4	66.3	0	0	0	112.5	F243 P250 M313 V316	F243-L247 PolarHBondContact O-N 3.49Å; F243-L247 VanDerWaalsContact O-N 3.11Å; L247-P250 WeakPolarHBondContact O-CD 3.24Å; L247-M313 HydrophobicContact CB-CE 4.29Å; L247-M313 HydrophobicContact CB-SD 4.44Å; L247-M313 HydrophobicContact CD2-CE 3.69Å; L247-M313 HydrophobicContact CD2-SD 3.61Å; L247-M313 HydrophobicContact CG-CE 3.95Å; L247-M313 HydrophobicContact CG-SD 3.58Å; L247-M313 VanDerWaalsContact CG-SD 3.58Å; L247-V316 HydrophobicContact CD2-CB 4.4Å; L247-V316 HydrophobicContact CD2-CG1 3.84Å
248	R	73.4	Confident	77.6	Confident	11 Å²	11	70.6 Å²	70.6	4%	0.042	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8	-176.6	-77.6	-178.1	-74.9	-172.1	14.5	116.2	L244 T245 R246 P250 I251 M313 D317 V375	L244-R248 WeakPolarHBondContact O-CG 3.46Å; L244-R248 PolarHBondContact O-N 2.82Å; L244-R248 PolarHBondContact O-NE 3.09Å; T245-R248 PolarHBondContact O-N 2.88Å; R246-R248 VanDerWaalsContact C-N 3.26Å; R246-R248 PolarHBondContact O-N 3.22Å; R248-P250 VanDerWaalsContact C-N 3.29Å; R248-P250 VanDerWaalsContact O-N 3.1Å; R248-I251 HydrophobicContact CB-CD1 4.06Å; R248-I251 HydrophobicContact CG-CD1 3.86Å; R248-I251 WeakPolarHBondContact O-CB 3.4Å; R248-I251 WeakPolarHBondContact O-CG1 3.48Å; R248-I251 PolarHBondContact O-N 3.16Å; R248-M313 HydrophobicContact CG-CE 3.38Å; R248-M313 HydrophobicContact CG-SD 4.43Å; R248-D317 IonicContact NH1-OD1 3.99Å; R248-D317 IonicContact NH1-OD2 2.92Å; R248-V375 PolarHBondContact NH1-O 3.16Å; R248-V375 VanDerWaalsContact NH2-CG1 3.3Å; R248-V375 PolarHBondContact NH2-O 2.95Å
249	R	74.3	Confident	77.4	Confident	170 Å²	170	66.8 Å²	66.8	64%	0.642	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-38.2	-178.9	-73.3	-179.7	172.2	-171.4	-4.7	115.5	R246 I251	R246-R249 WeakPolarHBondContact O-CG 3.34Å; R246-R249 PolarHBondContact O-N 3.26Å; R249-I251 VanDerWaalsContact C-N 3.27Å; R249-I251 PolarHBondContact O-N 2.72Å
250	P	79.1	Confident	77.1	Confident	60 Å²	60	68.4 Å²	68.4	39%	0.39	33%	0.331	S	S	.	.	H	α-helix	trans	-66.4	-22	-179.7	-22.9	35.2	0	0	0	115.1	L247 R248 G252 K253 M254 F309	L247-P250 WeakPolarHBondContact O-CD 3.24Å; R248-P250 VanDerWaalsContact C-N 3.29Å; R248-P250 VanDerWaalsContact O-N 3.1Å; P250-G252 VanDerWaalsContact C-N 3.31Å; P250-G252 PolarHBondContact O-N 3.17Å; P250-K253 PolarHBondContact O-N 3.27Å; P250-M254 PolarHBondContact O-N 3.04Å; P250-F309 HydrophobicContact CB-CZ 4.26Å; P250-F309 HydrophobicContact CG-CZ 4.41Å
251	I	74.6	Confident	77.3	Confident	16 Å²	16	71.7 Å²	71.7	8%	0.082	34%	0.342	C	S	.	.	H	α-helix	trans	-59.4	-42.2	-174.8	-65.4	177.2	0	0	0	111.3	R248 R249 K253 M254 T255 F306 F309	R248-I251 HydrophobicContact CB-CD1 4.06Å; R248-I251 HydrophobicContact CG-CD1 3.86Å; R248-I251 WeakPolarHBondContact O-CB 3.4Å; R248-I251 WeakPolarHBondContact O-CG1 3.48Å; R248-I251 PolarHBondContact O-N 3.16Å; R249-I251 VanDerWaalsContact C-N 3.27Å; R249-I251 PolarHBondContact O-N 2.72Å; I251-K253 VanDerWaalsContact C-N 3.31Å; I251-K253 PolarHBondContact O-N 3.5Å; I251-M254 PolarHBondContact O-N 2.89Å; I251-M254 VanDerWaalsContact O-N 3.15Å; I251-T255 PolarHBondContact O-N 3.11Å; I251-T255 PolarHBondContact O-OG1 3.33Å; I251-F306 HydrophobicContact CG2-CE2 4.22Å; I251-F306 HydrophobicContact CG2-CZ 4.31Å; I251-F309 HydrophobicContact CD1-CE1 4.11Å; I251-F309 HydrophobicContact CG1-CD1 4.17Å; I251-F309 HydrophobicContact CG1-CE1 3.5Å; I251-F309 VanDerWaalsContact CG1-CE1 3.5Å; I251-F309 HydrophobicContact CG1-CZ 4.47Å
252	G	70.8	Confident	77.7	Confident	12 Å²	12	73.1 Å²	73.1	12%	0.124	35%	0.345	C	S	.	.	H	α-helix	trans	-57	-44.2	-179	0	0	0	0	0	112.3	P250 T255 V256	P250-G252 VanDerWaalsContact C-N 3.31Å; P250-G252 PolarHBondContact O-N 3.17Å; G252-T255 PolarHBondContact O-N 2.94Å; G252-V256 WeakPolarHBondContact O-CG2 3.24Å; G252-V256 PolarHBondContact O-N 3.45Å; G252-V256 VanDerWaalsContact O-N 3.13Å
253	K	75.4	Confident	77.8	Confident	158 Å²	158	67.2 Å²	67.2	69%	0.687	32%	0.315	S	S	*	.	H	α-helix	trans	-63.5	-43.5	177.1	-66.8	-173.4	176.8	-173.1	0	112.1	P250 I251 T255 V256 T257	P250-K253 PolarHBondContact O-N 3.27Å; I251-K253 VanDerWaalsContact C-N 3.31Å; I251-K253 PolarHBondContact O-N 3.5Å; K253-T255 VanDerWaalsContact C-N 3.32Å; K253-T255 PolarHBondContact O-N 3.12Å; K253-V256 PolarHBondContact O-N 3.29Å; K253-T257 PolarHBondContact O-N 3.45Å; K253-T257 VanDerWaalsContact O-N 3.15Å; K253-T257 PolarHBondContact O-OG1 3.43Å
254	M	78.1	Confident	77.9	Confident	41 Å²	41	64.8 Å²	64.8	20%	0.202	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-32.9	179.3	-63	-175	82.9	0	0	112.7	P250 I251 T257 E258 H302 F306 F309	P250-M254 PolarHBondContact O-N 3.04Å; I251-M254 PolarHBondContact O-N 2.89Å; I251-M254 VanDerWaalsContact O-N 3.15Å; M254-T257 WeakPolarHBondContact CA-OG1 3.45Å; M254-T257 PolarHBondContact O-OG1 3.44Å; M254-E258 WeakPolarHBondContact O-CB 3.44Å; M254-E258 PolarHBondContact O-N 3.19Å; M254-H302 PolarHBondContact O-CE1 3.41Å; M254-H302 PolarHBondContact O-NE2 2.89Å; M254-F306 HydrophobicContact CB-CD2 3.85Å; M254-F306 HydrophobicContact CB-CE2 3.86Å; M254-F306 HydrophobicContact CE-CB 4.12Å; M254-F306 HydrophobicContact CE-CD2 3.93Å; M254-F306 HydrophobicContact CE-CG 4.49Å; M254-F306 HydrophobicContact SD-CD2 3.91Å; M254-F306 HydrophobicContact SD-CE2 4.42Å; M254-F309 HydrophobicContact SD-CB 4.44Å; M254-F309 HydrophobicContact SD-CD1 4.27Å; M254-F309 HydrophobicContact SD-CG 4.19Å
255	T	76.8	Confident	78.5	Confident	34 Å²	34	68 Å²	68	21%	0.209	32%	0.318	C	S	.	.	H	α-helix	trans	-71.8	-35.4	175.5	-62.7	0	0	0	0	112	I251 G252 K253 E258 Q259	I251-T255 PolarHBondContact O-N 3.11Å; I251-T255 PolarHBondContact O-OG1 3.33Å; G252-T255 PolarHBondContact O-N 2.94Å; K253-T255 VanDerWaalsContact C-N 3.32Å; K253-T255 PolarHBondContact O-N 3.12Å; T255-E258 WeakPolarHBondContact O-CB 3.47Å; T255-E258 PolarHBondContact O-N 3.01Å; T255-Q259 WeakPolarHBondContact O-CG 3.22Å; T255-Q259 PolarHBondContact O-N 2.68Å; T255-Q259 VanDerWaalsContact O-N 3.1Å
256	V	71.1	Confident	79.1	Confident	77 Å²	77	68.3 Å²	68.3	47%	0.467	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-43.6	174.4	172.6	0	0	0	0	111.1	G252 K253 E258 Q259 R260	G252-V256 WeakPolarHBondContact O-CG2 3.24Å; G252-V256 PolarHBondContact O-N 3.45Å; G252-V256 VanDerWaalsContact O-N 3.13Å; K253-V256 PolarHBondContact O-N 3.29Å; V256-E258 VanDerWaalsContact C-N 3.34Å; V256-E258 PolarHBondContact O-N 2.96Å; V256-Q259 PolarHBondContact O-N 3.38Å; V256-R260 PolarHBondContact O-N 2.91Å; V256-R260 VanDerWaalsContact O-N 3.1Å
257	T	78.9	Confident	79.6	Confident	54 Å²	54	67.4 Å²	67.4	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-36	176.8	54.7	0	0	0	0	112.3	K253 M254 R260 Y261 H302	K253-T257 PolarHBondContact O-N 3.45Å; K253-T257 VanDerWaalsContact O-N 3.15Å; K253-T257 PolarHBondContact O-OG1 3.43Å; M254-T257 WeakPolarHBondContact CA-OG1 3.45Å; M254-T257 PolarHBondContact O-OG1 3.44Å; T257-R260 PolarHBondContact O-N 2.9Å; T257-Y261 WeakPolarHBondContact O-CD2 3.3Å; T257-Y261 PolarHBondContact O-N 3.2Å; T257-Y261 VanDerWaalsContact O-N 3.08Å; T257-H302 PolarHBondContact OG1-CE1 2.84Å; T257-H302 PolarHBondContact OG1-NE2 3.46Å
258	E	83.1	Confident	80.2	Confident	35 Å²	35	64.8 Å²	64.8	16%	0.164	30%	0.295	C	S	.	.	H	α-helix	trans	-56.9	-51.3	172.4	179.1	-175.7	174.6	0	0	111.3	M254 T255 V256 R260 Y261 E262 H302 L303 F306	M254-E258 WeakPolarHBondContact O-CB 3.44Å; M254-E258 PolarHBondContact O-N 3.19Å; T255-E258 WeakPolarHBondContact O-CB 3.47Å; T255-E258 PolarHBondContact O-N 3.01Å; V256-E258 VanDerWaalsContact C-N 3.34Å; V256-E258 PolarHBondContact O-N 2.96Å; E258-R260 VanDerWaalsContact C-N 3.29Å; E258-R260 PolarHBondContact O-N 3.27Å; E258-Y261 PolarHBondContact O-N 2.8Å; E258-E262 WeakPolarHBondContact O-CB 3.28Å; E258-E262 PolarHBondContact O-N 3.16Å; E258-H302 PolarHBondContact N-NE2 3.34Å; E258-L303 HydrophobicContact CG-CD2 4.05Å; E258-F306 WeakPolarHBondContact OE2-CE1 3.19Å
259	Q	76.1	Confident	81.2	Confident	28 Å²	28	66.6 Å²	66.6	13%	0.131	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-32.9	179.1	-68.4	-59.7	-78.1	0	0	112.8	T255 V256 E262 G263	T255-Q259 WeakPolarHBondContact O-CG 3.22Å; T255-Q259 PolarHBondContact O-N 2.68Å; T255-Q259 VanDerWaalsContact O-N 3.1Å; V256-Q259 PolarHBondContact O-N 3.38Å; Q259-E262 PolarHBondContact NE2-OE2 3.37Å; Q259-G263 PolarHBondContact O-N 3.14Å
260	R	78.3	Confident	81.9	Confident	154 Å²	154	61.6 Å²	61.6	58%	0.581	30%	0.296	S	S	*	.	H	α-helix	trans	-64.7	-48.9	174.8	-177.1	-178.7	175.1	174.3	1.8	111.7	V256 T257 E258 E262 G263 E264	V256-R260 PolarHBondContact O-N 2.91Å; V256-R260 VanDerWaalsContact O-N 3.1Å; T257-R260 PolarHBondContact O-N 2.9Å; E258-R260 VanDerWaalsContact C-N 3.29Å; E258-R260 PolarHBondContact O-N 3.27Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-G263 PolarHBondContact O-N 2.78Å; R260-E264 PolarHBondContact O-N 3.12Å
261	Y	86.1	Confident	82.5	Confident	76 Å²	76	63.7 Å²	63.7	30%	0.298	30%	0.296	S	S	.	.	H	α-helix	trans	-66.8	-35.9	178.5	-66.6	-40.3	0	0	0	112.4	T257 E258 G263 E264 Y265 H302	T257-Y261 WeakPolarHBondContact O-CD2 3.3Å; T257-Y261 PolarHBondContact O-N 3.2Å; T257-Y261 VanDerWaalsContact O-N 3.08Å; E258-Y261 PolarHBondContact O-N 2.8Å; Y261-G263 VanDerWaalsContact C-N 3.34Å; Y261-E264 PolarHBondContact O-N 3.29Å; Y261-Y265 WeakPolarHBondContact O-CB 3.17Å; Y261-Y265 PolarHBondContact O-N 3.48Å; Y261-H302 HydrophobicContact CD2-CB 3.95Å; Y261-H302 HydrophobicContact CE2-CB 3.99Å
262	E	85	Confident	83.4	Confident	48 Å²	48	65.4 Å²	65.4	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-63	-41.4	173	-166.8	-178.5	175.8	0	0	111.3	E258 Q259 R260 Y265 R266	E258-E262 WeakPolarHBondContact O-CB 3.28Å; E258-E262 PolarHBondContact O-N 3.16Å; Q259-E262 PolarHBondContact NE2-OE2 3.37Å; R260-E262 VanDerWaalsContact C-N 3.34Å; E262-Y265 PolarHBondContact O-N 2.62Å; E262-R266 WeakPolarHBondContact O-CG 3.33Å; E262-R266 PolarHBondContact O-N 2.85Å; E262-R266 IonicContact OE1-CZ 3.2Å; E262-R266 IonicContact OE1-NE 2.95Å; E262-R266 IonicContact OE1-NH2 3.72Å; E262-R266 PolarHBondContact OE1-NH2 2.85Å
263	G	82.4	Confident	84.3	Confident	5 Å²	5	70.9 Å²	70.9	5%	0.052	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-46.4	173.5	0	0	0	0	0	113.2	Q259 R260 Y261 Y265 R266 Y267	Q259-G263 PolarHBondContact O-N 3.14Å; R260-G263 PolarHBondContact O-N 2.78Å; Y261-G263 VanDerWaalsContact C-N 3.34Å; G263-Y265 VanDerWaalsContact C-N 3.32Å; G263-Y265 PolarHBondContact O-N 3.32Å; G263-R266 PolarHBondContact O-N 3.2Å; G263-Y267 WeakPolarHBondContact O-CB 3.4Å; G263-Y267 PolarHBondContact O-N 3.15Å
264	E	85.2	Confident	84.9	Confident	63 Å²	63	68.1 Å²	68.1	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-58.6	-44	175.4	-174.4	-175.8	158.3	0	0	111.1	R260 Y261 Y267 V268 T295 K298	R260-E264 PolarHBondContact O-N 3.12Å; Y261-E264 PolarHBondContact O-N 3.29Å; E264-Y267 PolarHBondContact O-N 2.85Å; E264-V268 WeakPolarHBondContact O-CG2 3.44Å; E264-V268 PolarHBondContact O-N 3.35Å; E264-V268 VanDerWaalsContact O-N 3.14Å; E264-T295 HydrophobicContact CG-CG2 4.42Å; E264-K298 IonicContact OE1-NZ 3.24Å; E264-K298 PolarHBondContact OE1-NZ 2.86Å
265	Y	90.9	Very high	85.6	Confident	68 Å²	68	69 Å²	69	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-45	177.6	177.7	-108.9	0	0	0	112.5	Y261 E262 G263 V268 N269 I292 F296	Y261-Y265 WeakPolarHBondContact O-CB 3.17Å; Y261-Y265 PolarHBondContact O-N 3.48Å; E262-Y265 PolarHBondContact O-N 2.62Å; G263-Y265 VanDerWaalsContact C-N 3.32Å; G263-Y265 PolarHBondContact O-N 3.32Å; Y265-V268 PolarHBondContact O-N 2.78Å; Y265-N269 PolarHBondContact O-N 3.11Å; Y265-N269 PolarHBondContact O-ND2 3.29Å; Y265-I292 HydrophobicContact CE2-CG2 3.91Å; Y265-F296 HydrophobicContact CD2-CB 4.09Å; Y265-F296 HydrophobicContact CD2-CD2 4.5Å; Y265-F296 HydrophobicContact CE2-CB 3.8Å; Y265-F296 HydrophobicContact CE2-CD2 4.08Å; Y265-F296 HydrophobicContact CE2-CG 4.35Å
266	R	87.9	Confident	86.3	Confident	86 Å²	86	70.9 Å²	70.9	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-64.9	-41	176.9	-71.9	177.8	-169.9	-179.6	1.7	112.3	E262 G263 V268 N269 S270	E262-R266 WeakPolarHBondContact O-CG 3.33Å; E262-R266 PolarHBondContact O-N 2.85Å; E262-R266 IonicContact OE1-CZ 3.2Å; E262-R266 IonicContact OE1-NE 2.95Å; E262-R266 IonicContact OE1-NH2 3.72Å; E262-R266 PolarHBondContact OE1-NH2 2.85Å; G263-R266 PolarHBondContact O-N 3.2Å; R266-V268 VanDerWaalsContact C-N 3.35Å; R266-V268 PolarHBondContact O-N 2.68Å; R266-N269 PolarHBondContact O-N 2.95Å; R266-S270 PolarHBondContact O-N 3.04Å
267	Y	86.9	Confident	87.2	Confident	150 Å²	150	73.2 Å²	73.2	59%	0.588	35%	0.353	S	S	*	.	H	α-helix	trans	-58.1	-45.8	177.1	172.9	-100	0	0	0	111.9	G263 E264 N269 S270 R271	G263-Y267 WeakPolarHBondContact O-CB 3.4Å; G263-Y267 PolarHBondContact O-N 3.15Å; E264-Y267 PolarHBondContact O-N 2.85Å; Y267-N269 VanDerWaalsContact C-N 3.33Å; Y267-N269 PolarHBondContact O-N 3.42Å; Y267-S270 PolarHBondContact O-N 3.07Å; Y267-R271 PolarHBondContact O-N 3.24Å
268	V	90.6	Very high	87.9	Confident	15 Å²	15	75 Å²	75	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-41	177.1	173.8	0	0	0	0	111.7	E264 Y265 R266 R271 L272 T291 I292 T295	E264-V268 WeakPolarHBondContact O-CG2 3.44Å; E264-V268 PolarHBondContact O-N 3.35Å; E264-V268 VanDerWaalsContact O-N 3.14Å; Y265-V268 PolarHBondContact O-N 2.78Å; R266-V268 VanDerWaalsContact C-N 3.35Å; R266-V268 PolarHBondContact O-N 2.68Å; V268-R271 PolarHBondContact O-N 2.88Å; V268-L272 PolarHBondContact O-N 3.25Å; V268-L272 VanDerWaalsContact O-N 3.17Å; V268-T291 HydrophobicContact CG1-CG2 4.15Å; V268-I292 HydrophobicContact CG1-CG1 3.76Å; V268-T295 HydrophobicContact CG2-CG2 4.08Å
269	N	93.5	Very high	88.4	Confident	48 Å²	48	74.1 Å²	74.1	26%	0.257	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-42.5	175.8	-76.9	-79	0	0	0	112.1	Y265 R266 Y267 R271 L272 I273	Y265-N269 PolarHBondContact O-N 3.11Å; Y265-N269 PolarHBondContact O-ND2 3.29Å; R266-N269 PolarHBondContact O-N 2.95Å; Y267-N269 VanDerWaalsContact C-N 3.33Å; Y267-N269 PolarHBondContact O-N 3.42Å; N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 PolarHBondContact O-N 3.34Å; N269-L272 WeakPolarHBondContact O-CB 3.14Å; N269-L272 PolarHBondContact O-N 3.49Å; N269-I273 WeakPolarHBondContact O-CG1 3.39Å; N269-I273 PolarHBondContact O-N 3.05Å; N269-I273 VanDerWaalsContact O-N 3.14Å
270	S	89.6	Confident	89.3	Confident	65 Å²	65	75.4 Å²	75.4	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-42.6	176.4	-168.7	0	0	0	0	111.4	R266 Y267 L272 I273 T274	R266-S270 PolarHBondContact O-N 3.04Å; Y267-S270 PolarHBondContact O-N 3.07Å; S270-L272 VanDerWaalsContact C-N 3.32Å; S270-L272 PolarHBondContact O-N 3.24Å; S270-I273 PolarHBondContact O-N 3.07Å; S270-T274 PolarHBondContact O-N 2.91Å; S270-T274 PolarHBondContact O-OG1 2.95Å
271	R	91.8	Very high	90.1	Very high	105 Å²	105	75.2 Å²	75.2	40%	0.396	37%	0.373	S	S	.	.	H	α-helix	trans	-59.1	-42.1	176	177.1	-175.5	166.6	-106.3	-5.9	112	Y267 V268 N269 I273 T274 N275 E288	Y267-R271 PolarHBondContact O-N 3.24Å; V268-R271 PolarHBondContact O-N 2.88Å; N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 PolarHBondContact O-N 3.34Å; R271-I273 VanDerWaalsContact C-N 3.33Å; R271-T274 PolarHBondContact O-N 3.02Å; R271-N275 PolarHBondContact O-N 3.24Å; R271-N275 VanDerWaalsContact O-N 3.1Å; R271-N275 PolarHBondContact O-ND2 3.45Å; R271-E288 IonicContact CZ-OE1 3.61Å; R271-E288 IonicContact NH1-OE1 3.33Å; R271-E288 PolarHBondContact NH1-OE1 2.89Å; R271-E288 IonicContact NH1-OE2 2.7Å; R271-E288 PolarHBondContact NH1-OE2 3.48Å; R271-E288 IonicContact NH2-OE1 3.94Å
272	L	92.6	Very high	90.6	Very high	51 Å²	51	80.8 Å²	80.8	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-41.1	177.7	177.2	64.5	0	0	0	111.5	V268 N269 S270 S276 I279 E288 I292	V268-L272 PolarHBondContact O-N 3.25Å; V268-L272 VanDerWaalsContact O-N 3.17Å; N269-L272 WeakPolarHBondContact O-CB 3.14Å; N269-L272 PolarHBondContact O-N 3.49Å; S270-L272 VanDerWaalsContact C-N 3.32Å; S270-L272 PolarHBondContact O-N 3.24Å; L272-S276 WeakPolarHBondContact O-CA 3.4Å; L272-S276 PolarHBondContact O-N 3.21Å; L272-I279 HydrophobicContact CD1-CD1 3.58Å; L272-I279 HydrophobicContact CD1-CG2 4.18Å; L272-E288 HydrophobicContact CD1-CB 4.18Å; L272-E288 HydrophobicContact CD1-CG 4.14Å; L272-I292 HydrophobicContact CD2-CD1 3.78Å
273	I	91.1	Very high	91.1	Very high	127 Å²	127	84.7 Å²	84.7	65%	0.651	42%	0.417	S	S	*	.	H	α-helix	trans	-66.9	-47.7	177.7	-64.1	165.7	0	0	0	110.5	N269 S270 R271 N275 S276	N269-I273 WeakPolarHBondContact O-CG1 3.39Å; N269-I273 PolarHBondContact O-N 3.05Å; N269-I273 VanDerWaalsContact O-N 3.14Å; S270-I273 PolarHBondContact O-N 3.07Å; R271-I273 VanDerWaalsContact C-N 3.33Å; I273-N275 VanDerWaalsContact C-N 3.29Å; I273-N275 PolarHBondContact O-N 2.87Å; I273-S276 PolarHBondContact O-N 2.98Å; I273-S276 PolarHBondContact O-OG 2.99Å
274	T	87.6	Confident	91.8	Very high	101 Å²	101	85.4 Å²	85.4	62%	0.62	42%	0.424	S	S	*	.	H	α-helix	trans	-66.5	-29	-176.5	-54.3	0	0	0	0	113.6	S270 R271	S270-T274 PolarHBondContact O-N 2.91Å; S270-T274 PolarHBondContact O-OG1 2.95Å; R271-T274 PolarHBondContact O-N 3.02Å
275	N	91.8	Very high	92.2	Very high	59 Å²	59	87.6 Å²	87.6	32%	0.316	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	32.2	-178.8	-50.1	-89.3	0	0	0	111.2	R271 I273 E277 E278 I279	R271-N275 PolarHBondContact O-N 3.24Å; R271-N275 VanDerWaalsContact O-N 3.1Å; R271-N275 PolarHBondContact O-ND2 3.45Å; I273-N275 VanDerWaalsContact C-N 3.29Å; I273-N275 PolarHBondContact O-N 2.87Å; N275-E277 VanDerWaalsContact C-N 3.28Å; N275-E277 PolarHBondContact O-N 3.28Å; N275-E278 WeakPolarHBondContact CA-OE2 3.39Å; N275-I279 HydrophobicContact CB-CD1 4.2Å; N275-I279 WeakPolarHBondContact O-CB 3.29Å; N275-I279 VanDerWaalsContact O-CD1 3.32Å; N275-I279 WeakPolarHBondContact O-CD1 3.27Å; N275-I279 WeakPolarHBondContact O-CG1 3.37Å; N275-I279 PolarHBondContact O-N 3.46Å
276	S	92.3	Very high	92.5	Very high	73 Å²	73	90.9 Å²	90.9	51%	0.51	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-35.2	-172.4	56.4	0	0	0	0	112.3	L272 I273 A280	L272-S276 WeakPolarHBondContact O-CA 3.4Å; L272-S276 PolarHBondContact O-N 3.21Å; I273-S276 PolarHBondContact O-N 2.98Å; I273-S276 PolarHBondContact O-OG 2.99Å; S276-A280 VanDerWaalsContact O-CB 3.26Å; S276-A280 WeakPolarHBondContact O-CB 3.23Å; S276-A280 PolarHBondContact O-N 3.15Å
277	E	89.8	Confident	92.8	Very high	126 Å²	126	94.1 Å²	94.1	59%	0.589	47%	0.472	S	S	*	.	H	α-helix	trans	-69.2	-48.9	-179.7	-169.8	179.6	177.5	0	0	111	N275 I279 A280 F281	N275-E277 VanDerWaalsContact C-N 3.28Å; N275-E277 PolarHBondContact O-N 3.28Å; E277-I279 VanDerWaalsContact C-N 3.33Å; E277-I279 PolarHBondContact O-N 3.2Å; E277-A280 WeakPolarHBondContact O-CB 3.19Å; E277-A280 PolarHBondContact O-N 3.1Å; E277-A280 VanDerWaalsContact O-N 3.16Å; E277-F281 HydrophobicContact CG-CD2 3.95Å; E277-F281 HydrophobicContact CG-CE2 3.52Å; E277-F281 HydrophobicContact CG-CZ 4.37Å; E277-F281 VanDerWaalsContact O-CD2 3.24Å; E277-F281 WeakPolarHBondContact O-CD2 3.35Å; E277-F281 PolarHBondContact O-N 2.92Å; E277-F281 WeakPolarHBondContact OE1-CE2 3.41Å
278	E	93.5	Very high	93.3	Very high	91 Å²	91	87.9 Å²	87.9	43%	0.425	45%	0.448	S	S	.	.	H	α-helix	trans	-62.5	-41.7	178	-60	88.5	161.2	0	0	111.3	N275 A280 F281 Y282	N275-E278 WeakPolarHBondContact CA-OE2 3.39Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.45Å; E278-F281 PolarHBondContact O-N 2.85Å; E278-Y282 HydrophobicContact CB-CE2 4.35Å; E278-Y282 WeakPolarHBondContact O-CD2 3.26Å; E278-Y282 PolarHBondContact O-N 2.88Å; E278-Y282 VanDerWaalsContact O-N 3.08Å
279	I	94.2	Very high	93.5	Very high	17 Å²	17	93 Å²	93	9%	0.087	47%	0.469	C	S	.	.	H	α-helix	trans	-65	-37.5	177.5	-67.8	166.2	0	0	0	110.9	L272 N275 E277 Y282 N283 G284 E288	L272-I279 HydrophobicContact CD1-CD1 3.58Å; L272-I279 HydrophobicContact CD1-CG2 4.18Å; N275-I279 HydrophobicContact CB-CD1 4.2Å; N275-I279 WeakPolarHBondContact O-CB 3.29Å; N275-I279 VanDerWaalsContact O-CD1 3.32Å; N275-I279 WeakPolarHBondContact O-CD1 3.27Å; N275-I279 WeakPolarHBondContact O-CG1 3.37Å; N275-I279 PolarHBondContact O-N 3.46Å; E277-I279 VanDerWaalsContact C-N 3.33Å; E277-I279 PolarHBondContact O-N 3.2Å; I279-Y282 PolarHBondContact O-N 2.68Å; I279-N283 PolarHBondContact O-N 2.86Å; I279-N283 VanDerWaalsContact O-N 3.13Å; I279-G284 PolarHBondContact O-N 2.78Å; I279-E288 HydrophobicContact CD1-CG 4.18Å; I279-E288 HydrophobicContact CG2-CG 4.03Å
280	A	94.5	Very high	93.7	Very high	56 Å²	56	96.5 Å²	96.5	46%	0.463	48%	0.484	S	S	.	.	H	α-helix	trans	-66.2	-44.5	175.3	0	0	0	0	0	111.6	S276 E277 E278 Y282 N283	S276-A280 VanDerWaalsContact O-CB 3.26Å; S276-A280 WeakPolarHBondContact O-CB 3.23Å; S276-A280 PolarHBondContact O-N 3.15Å; E277-A280 WeakPolarHBondContact O-CB 3.19Å; E277-A280 PolarHBondContact O-N 3.1Å; E277-A280 VanDerWaalsContact O-N 3.16Å; E278-A280 VanDerWaalsContact C-N 3.3Å; E278-A280 PolarHBondContact O-N 3.45Å; A280-Y282 VanDerWaalsContact C-N 3.27Å; A280-Y282 PolarHBondContact O-N 3.3Å; A280-N283 PolarHBondContact O-N 3.19Å
281	F	95.6	Very high	93.9	Very high	149 Å²	149	95.2 Å²	95.2	65%	0.654	47%	0.473	S	S	*	.	H	α-helix	trans	-56.8	-40.6	174.8	-80.2	-56.5	0	0	0	112.6	E277 E278 N283	E277-F281 HydrophobicContact CG-CD2 3.95Å; E277-F281 HydrophobicContact CG-CE2 3.52Å; E277-F281 HydrophobicContact CG-CZ 4.37Å; E277-F281 VanDerWaalsContact O-CD2 3.24Å; E277-F281 WeakPolarHBondContact O-CD2 3.35Å; E277-F281 PolarHBondContact O-N 2.92Å; E277-F281 WeakPolarHBondContact OE1-CE2 3.41Å; E278-F281 PolarHBondContact O-N 2.85Å; F281-N283 VanDerWaalsContact C-N 3.3Å; F281-N283 PolarHBondContact O-N 3.37Å
282	Y	96.5	Very high	94.1	Very high	193 Å²	193	91.6 Å²	91.6	76%	0.757	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.7	177.4	-61.2	-52.6	0	0	0	114.5	E278 I279 A280 G284	E278-Y282 HydrophobicContact CB-CE2 4.35Å; E278-Y282 WeakPolarHBondContact O-CD2 3.26Å; E278-Y282 PolarHBondContact O-N 2.88Å; E278-Y282 VanDerWaalsContact O-N 3.08Å; I279-Y282 PolarHBondContact O-N 2.68Å; A280-Y282 VanDerWaalsContact C-N 3.27Å; A280-Y282 PolarHBondContact O-N 3.3Å; Y282-G284 PolarHBondContact O-N 3.48Å
283	N	95.6	Very high	94.3	Very high	131 Å²	131	94.2 Å²	94.2	70%	0.701	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.8	-172.7	-66.7	-63	0	0	0	113.3	I279 A280 F281 N285	I279-N283 PolarHBondContact O-N 2.86Å; I279-N283 VanDerWaalsContact O-N 3.13Å; A280-N283 PolarHBondContact O-N 3.19Å; F281-N283 VanDerWaalsContact C-N 3.3Å; F281-N283 PolarHBondContact O-N 3.37Å; N283-N285 PolarHBondContact O-N 3.07Å
284	G	95.9	Very high	94.5	Very high	19 Å²	19	91.4 Å²	91.4	20%	0.196	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	7.2	-170.7	0	0	0	0	0	116.8	I279 Y282 L286 R287 E288	I279-G284 PolarHBondContact O-N 2.78Å; Y282-G284 PolarHBondContact O-N 3.48Å; G284-L286 PolarHBondContact O-N 3.4Å; G284-R287 PolarHBondContact O-N 3.31Å; G284-R287 VanDerWaalsContact O-N 3.09Å; G284-E288 PolarHBondContact O-N 2.83Å; G284-E288 VanDerWaalsContact O-N 3.08Å
285	N	94.9	Very high	94.9	Very high	110 Å²	110	87.2 Å²	87.2	59%	0.588	44%	0.438	S	S	*	.	H	α-helix	trans	-51.6	-47.5	-167.9	-62.9	-27.6	0	0	0	114.3	N283 K289	N283-N285 PolarHBondContact O-N 3.07Å; N285-K289 VanDerWaalsContact O-CB 3.26Å; N285-K289 WeakPolarHBondContact O-CB 3.42Å; N285-K289 PolarHBondContact O-N 2.93Å
286	L	96.1	Very high	95.1	Very high	136 Å²	136	89 Å²	89	71%	0.712	44%	0.443	S	S	*	.	H	α-helix	trans	-67.8	-37.2	-177.8	-69.5	174.8	0	0	0	112.3	G284 Q290	G284-L286 PolarHBondContact O-N 3.4Å; L286-Q290 WeakPolarHBondContact O-CG 3.29Å; L286-Q290 PolarHBondContact O-N 3.48Å; L286-Q290 VanDerWaalsContact O-N 3.1Å
287	R	95.1	Very high	95.3	Very high	155 Å²	155	91.7 Å²	91.7	59%	0.585	45%	0.446	S	S	*	.	H	α-helix	trans	-71	-44.2	-178.9	-177.4	64.4	-179.7	121.3	2.5	111.3	G284 Q290 T291	G284-R287 PolarHBondContact O-N 3.31Å; G284-R287 VanDerWaalsContact O-N 3.09Å; R287-Q290 PolarHBondContact O-N 3.47Å; R287-T291 PolarHBondContact O-N 3.25Å; R287-T291 VanDerWaalsContact O-N 3.11Å; R287-T291 PolarHBondContact O-OG1 3.15Å
288	E	96.1	Very high	95.5	Very high	19 Å²	19	90.1 Å²	90.1	9%	0.089	44%	0.437	C	S	.	.	H	α-helix	trans	-66.5	-40.1	176.8	-69.6	-61.9	155.6	0	0	111	R271 L272 I279 G284 Q290 T291 I292	R271-E288 IonicContact CZ-OE1 3.61Å; R271-E288 IonicContact NH1-OE1 3.33Å; R271-E288 PolarHBondContact NH1-OE1 2.89Å; R271-E288 IonicContact NH1-OE2 2.7Å; R271-E288 PolarHBondContact NH1-OE2 3.48Å; R271-E288 IonicContact NH2-OE1 3.94Å; L272-E288 HydrophobicContact CD1-CB 4.18Å; L272-E288 HydrophobicContact CD1-CG 4.14Å; I279-E288 HydrophobicContact CD1-CG 4.18Å; I279-E288 HydrophobicContact CG2-CG 4.03Å; G284-E288 PolarHBondContact O-N 2.83Å; G284-E288 VanDerWaalsContact O-N 3.08Å; E288-Q290 PolarHBondContact O-N 3.45Å; E288-T291 WeakPolarHBondContact O-CB 3.32Å; E288-T291 PolarHBondContact O-N 3.48Å; E288-T291 VanDerWaalsContact O-N 3.13Å; E288-I292 WeakPolarHBondContact O-CG1 3.4Å; E288-I292 PolarHBondContact O-N 3.22Å
289	K	95.9	Very high	95.6	Very high	121 Å²	121	86.5 Å²	86.5	53%	0.526	42%	0.42	S	S	.	.	H	α-helix	trans	-55.7	-46.9	171.9	177.5	174.5	-179.6	178.9	0	112.7	N285 T291 I292 H293	N285-K289 VanDerWaalsContact O-CB 3.26Å; N285-K289 WeakPolarHBondContact O-CB 3.42Å; N285-K289 PolarHBondContact O-N 2.93Å; K289-T291 VanDerWaalsContact C-N 3.31Å; K289-T291 PolarHBondContact O-N 3.27Å; K289-I292 PolarHBondContact O-N 3.3Å; K289-H293 VanDerWaalsContact CE-NE2 3.32Å; K289-H293 WeakPolarHBondContact CE-NE2 3.35Å; K289-H293 WeakPolarHBondContact O-CB 3.48Å; K289-H293 PolarHBondContact O-CD2 2.98Å; K289-H293 PolarHBondContact O-N 3.26Å
290	Q	96.4	Very high	95.6	Very high	123 Å²	123	86.7 Å²	86.7	58%	0.575	43%	0.425	S	S	*	.	H	α-helix	trans	-62.8	-38.9	177.5	-74.4	175.9	-1.1	0	0	112.3	L286 R287 E288 H293 S294	L286-Q290 WeakPolarHBondContact O-CG 3.29Å; L286-Q290 PolarHBondContact O-N 3.48Å; L286-Q290 VanDerWaalsContact O-N 3.1Å; R287-Q290 PolarHBondContact O-N 3.47Å; E288-Q290 PolarHBondContact O-N 3.45Å; Q290-H293 PolarHBondContact O-N 3.25Å; Q290-S294 WeakPolarHBondContact O-CB 3.5Å; Q290-S294 PolarHBondContact O-N 3.35Å
291	T	95.1	Very high	95.7	Very high	37 Å²	37	87.7 Å²	87.7	23%	0.227	42%	0.422	C	S	.	.	H	α-helix	trans	-64.8	-47.2	178.8	-56.8	0	0	0	0	111	V268 R287 E288 K289 S294 T295	V268-T291 HydrophobicContact CG1-CG2 4.15Å; R287-T291 PolarHBondContact O-N 3.25Å; R287-T291 VanDerWaalsContact O-N 3.11Å; R287-T291 PolarHBondContact O-OG1 3.15Å; E288-T291 WeakPolarHBondContact O-CB 3.32Å; E288-T291 PolarHBondContact O-N 3.48Å; E288-T291 VanDerWaalsContact O-N 3.13Å; K289-T291 VanDerWaalsContact C-N 3.31Å; K289-T291 PolarHBondContact O-N 3.27Å; T291-S294 PolarHBondContact O-N 3Å; T291-T295 PolarHBondContact O-N 2.66Å; T291-T295 VanDerWaalsContact O-N 3.09Å; T291-T295 PolarHBondContact O-OG1 3.18Å
292	I	95.7	Very high	95.5	Very high	29 Å²	29	81.7 Å²	81.7	15%	0.149	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-44.9	176.2	-68.4	171.7	0	0	0	111.3	Y265 V268 L272 E288 K289 S294 T295 F296	Y265-I292 HydrophobicContact CE2-CG2 3.91Å; V268-I292 HydrophobicContact CG1-CG1 3.76Å; L272-I292 HydrophobicContact CD2-CD1 3.78Å; E288-I292 WeakPolarHBondContact O-CG1 3.4Å; E288-I292 PolarHBondContact O-N 3.22Å; K289-I292 PolarHBondContact O-N 3.3Å; I292-S294 VanDerWaalsContact C-N 3.31Å; I292-S294 PolarHBondContact O-N 3.43Å; I292-T295 PolarHBondContact O-N 3.06Å; I292-T295 PolarHBondContact O-OG1 3.4Å; I292-F296 VanDerWaalsContact O-CB 3.29Å; I292-F296 WeakPolarHBondContact O-CB 3.34Å; I292-F296 PolarHBondContact O-N 3Å
293	H	96.8	Very high	95.2	Very high	106 Å²	106	75.1 Å²	75.1	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-63.8	-36.6	177.3	-79	-55.9	0	0	0	112.6	K289 Q290 K297	K289-H293 VanDerWaalsContact CE-NE2 3.32Å; K289-H293 WeakPolarHBondContact CE-NE2 3.35Å; K289-H293 WeakPolarHBondContact O-CB 3.48Å; K289-H293 PolarHBondContact O-CD2 2.98Å; K289-H293 PolarHBondContact O-N 3.26Å; Q290-H293 PolarHBondContact O-N 3.25Å; H293-K297 VanDerWaalsContact O-CB 3.23Å; H293-K297 WeakPolarHBondContact O-CB 3.26Å; H293-K297 PolarHBondContact O-N 2.96Å
294	S	95.9	Very high	95.1	Very high	69 Å²	69	75 Å²	75	48%	0.483	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-46.8	177.7	-176.1	0	0	0	0	111.8	Q290 T291 I292 K297 K298	Q290-S294 WeakPolarHBondContact O-CB 3.5Å; Q290-S294 PolarHBondContact O-N 3.35Å; T291-S294 PolarHBondContact O-N 3Å; I292-S294 VanDerWaalsContact C-N 3.31Å; I292-S294 PolarHBondContact O-N 3.43Å; S294-K297 PolarHBondContact O-N 2.96Å; S294-K298 PolarHBondContact O-N 3.28Å
295	T	94.3	Very high	94.8	Very high	12 Å²	12	78 Å²	78	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-67.5	-41.8	177.7	54.2	0	0	0	0	111.9	E264 V268 T291 I292 K297 K298 L299	E264-T295 HydrophobicContact CG-CG2 4.42Å; V268-T295 HydrophobicContact CG2-CG2 4.08Å; T291-T295 PolarHBondContact O-N 2.66Å; T291-T295 VanDerWaalsContact O-N 3.09Å; T291-T295 PolarHBondContact O-OG1 3.18Å; I292-T295 PolarHBondContact O-N 3.06Å; I292-T295 PolarHBondContact O-OG1 3.4Å; T295-K297 VanDerWaalsContact C-N 3.32Å; T295-K297 PolarHBondContact O-N 3.18Å; T295-K298 PolarHBondContact O-N 3.06Å; T295-L299 PolarHBondContact O-N 3.14Å
296	F	96.9	Very high	94.4	Very high	98 Å²	98	72.9 Å²	72.9	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-40	174.3	-177.4	-109.8	0	0	0	112.4	Y265 I292 K298 L299 A300	Y265-F296 HydrophobicContact CD2-CB 4.09Å; Y265-F296 HydrophobicContact CD2-CD2 4.5Å; Y265-F296 HydrophobicContact CE2-CB 3.8Å; Y265-F296 HydrophobicContact CE2-CD2 4.08Å; Y265-F296 HydrophobicContact CE2-CG 4.35Å; I292-F296 VanDerWaalsContact O-CB 3.29Å; I292-F296 WeakPolarHBondContact O-CB 3.34Å; I292-F296 PolarHBondContact O-N 3Å; F296-K298 PolarHBondContact O-N 3.39Å; F296-L299 WeakPolarHBondContact O-CB 3.48Å; F296-L299 PolarHBondContact O-N 3.37Å; F296-A300 HydrophobicContact CE1-CB 4.48Å; F296-A300 WeakPolarHBondContact O-CB 3.34Å; F296-A300 PolarHBondContact O-N 2.92Å
297	K	96.8	Very high	94	Very high	129 Å²	129	71.5 Å²	71.5	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-62.4	-40.8	178.3	-175.4	171.5	-175.4	168.5	0	112.4	H293 S294 T295 L299 A300 D301	H293-K297 VanDerWaalsContact O-CB 3.23Å; H293-K297 WeakPolarHBondContact O-CB 3.26Å; H293-K297 PolarHBondContact O-N 2.96Å; S294-K297 PolarHBondContact O-N 2.96Å; T295-K297 VanDerWaalsContact C-N 3.32Å; T295-K297 PolarHBondContact O-N 3.18Å; K297-L299 VanDerWaalsContact C-N 3.32Å; K297-L299 PolarHBondContact O-N 3.49Å; K297-A300 PolarHBondContact O-N 3.44Å; K297-D301 WeakPolarHBondContact O-CB 3.18Å; K297-D301 PolarHBondContact O-N 3.45Å
298	K	93.8	Very high	93.7	Very high	92 Å²	92	66.7 Å²	66.7	40%	0.4	33%	0.328	S	S	.	.	H	α-helix	trans	-57.9	-45.5	173.5	-66.1	173.8	-174	175.5	0	111.2	E264 S294 T295 F296 H302	E264-K298 IonicContact OE1-NZ 3.24Å; E264-K298 PolarHBondContact OE1-NZ 2.86Å; S294-K298 PolarHBondContact O-N 3.28Å; T295-K298 PolarHBondContact O-N 3.06Å; F296-K298 PolarHBondContact O-N 3.39Å; K298-H302 PolarHBondContact O-N 3.02Å
299	L	94.4	Very high	93.2	Very high	15 Å²	15	68.3 Å²	68.3	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-47.3	177.1	176.3	61.4	0	0	0	111.3	T295 F296 K297 H302 L303	T295-L299 PolarHBondContact O-N 3.14Å; F296-L299 WeakPolarHBondContact O-CB 3.48Å; F296-L299 PolarHBondContact O-N 3.37Å; K297-L299 VanDerWaalsContact C-N 3.32Å; K297-L299 PolarHBondContact O-N 3.49Å; L299-H302 PolarHBondContact O-N 3.5Å; L299-L303 HydrophobicContact CD1-CD1 4.14Å; L299-L303 HydrophobicContact CD1-CG 4.18Å; L299-L303 HydrophobicContact CG-CD1 4.01Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CG 3.36Å; L299-L303 PolarHBondContact O-N 2.9Å
300	A	96.1	Very high	92.5	Very high	22 Å²	22	67.3 Å²	67.3	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-44.6	-180	0	0	0	0	0	112.5	F296 K297 H302 L303 H304	F296-A300 HydrophobicContact CE1-CB 4.48Å; F296-A300 WeakPolarHBondContact O-CB 3.34Å; F296-A300 PolarHBondContact O-N 2.92Å; K297-A300 PolarHBondContact O-N 3.44Å; A300-H302 VanDerWaalsContact C-N 3.3Å; A300-H302 PolarHBondContact O-N 3Å; A300-L303 PolarHBondContact O-N 3.39Å; A300-H304 PolarHBondContact O-CD2 3.32Å; A300-H304 PolarHBondContact O-N 2.83Å
301	D	95.3	Very high	92	Very high	76 Å²	76	66.1 Å²	66.1	41%	0.406	32%	0.321	S	S	.	.	H	α-helix	trans	-59.6	-41.5	177	-76.5	-18.4	0	0	0	111	K297 N305	K297-D301 WeakPolarHBondContact O-CB 3.18Å; K297-D301 PolarHBondContact O-N 3.45Å; D301-N305 PolarHBondContact O-N 3.46Å; D301-N305 PolarHBondContact O-ND2 3.37Å
302	H	92.1	Very high	91.6	Very high	23 Å²	23	66.4 Å²	66.4	11%	0.106	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-46	174.4	179.8	67.4	0	0	0	112.2	M254 T257 E258 Y261 K298 L299 A300 H304 N305 F306	M254-H302 PolarHBondContact O-CE1 3.41Å; M254-H302 PolarHBondContact O-NE2 2.89Å; T257-H302 PolarHBondContact OG1-CE1 2.84Å; T257-H302 PolarHBondContact OG1-NE2 3.46Å; E258-H302 PolarHBondContact N-NE2 3.34Å; Y261-H302 HydrophobicContact CD2-CB 3.95Å; Y261-H302 HydrophobicContact CE2-CB 3.99Å; K298-H302 PolarHBondContact O-N 3.02Å; L299-H302 PolarHBondContact O-N 3.5Å; A300-H302 VanDerWaalsContact C-N 3.3Å; A300-H302 PolarHBondContact O-N 3Å; H302-H304 VanDerWaalsContact C-N 3.34Å; H302-H304 PolarHBondContact O-N 3.24Å; H302-N305 PolarHBondContact O-N 3.15Å; H302-F306 WeakPolarHBondContact O-CB 3.45Å; H302-F306 PolarHBondContact O-N 3.36Å
303	L	90	Very high	90.9	Very high	56 Å²	56	65.6 Å²	65.6	29%	0.293	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-41.2	178.6	-72.8	175.4	0	0	0	111.9	E258 L299 A300 F306 I307	E258-L303 HydrophobicContact CG-CD2 4.05Å; L299-L303 HydrophobicContact CD1-CD1 4.14Å; L299-L303 HydrophobicContact CD1-CG 4.18Å; L299-L303 HydrophobicContact CG-CD1 4.01Å; L299-L303 HydrophobicContact CG-CG 4.45Å; L299-L303 WeakPolarHBondContact O-CG 3.36Å; L299-L303 PolarHBondContact O-N 2.9Å; A300-L303 PolarHBondContact O-N 3.39Å; L303-F306 PolarHBondContact O-N 3.34Å; L303-I307 WeakPolarHBondContact O-CB 2.92Å; L303-I307 WeakPolarHBondContact O-CD1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 2.97Å; L303-I307 PolarHBondContact O-N 2.68Å
304	H	93.7	Very high	90.2	Very high	128 Å²	128	62 Å²	62	59%	0.593	31%	0.312	S	S	*	.	H	α-helix	trans	-59.6	-48.7	175	-81.7	-58.9	0	0	0	112.3	A300 H302 F306 I307 F308	A300-H304 PolarHBondContact O-CD2 3.32Å; A300-H304 PolarHBondContact O-N 2.83Å; H302-H304 VanDerWaalsContact C-N 3.34Å; H302-H304 PolarHBondContact O-N 3.24Å; H304-F306 VanDerWaalsContact C-N 3.25Å; H304-F306 PolarHBondContact O-N 3.3Å; H304-I307 PolarHBondContact O-N 3.31Å; H304-F308 PolarHBondContact O-N 2.68Å; H304-F308 VanDerWaalsContact O-N 3.1Å
305	N	89.8	Confident	89.7	Confident	81 Å²	81	64.6 Å²	64.6	43%	0.433	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-39.1	176.2	-72.8	-33.8	0	0	0	111.6	D301 H302 F308 F309	D301-N305 PolarHBondContact O-N 3.46Å; D301-N305 PolarHBondContact O-ND2 3.37Å; H302-N305 PolarHBondContact O-N 3.15Å; N305-F308 PolarHBondContact O-N 2.84Å; N305-F309 PolarHBondContact O-N 3.39Å
306	F	86.7	Confident	89.3	Confident	4 Å²	4	66 Å²	66	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-70.9	-38.6	179.7	-171.9	-137	0	0	0	113.1	I251 M254 E258 H302 L303 H304 F308 F309 R310	I251-F306 HydrophobicContact CG2-CE2 4.22Å; I251-F306 HydrophobicContact CG2-CZ 4.31Å; M254-F306 HydrophobicContact CB-CD2 3.85Å; M254-F306 HydrophobicContact CB-CE2 3.86Å; M254-F306 HydrophobicContact CE-CB 4.12Å; M254-F306 HydrophobicContact CE-CD2 3.93Å; M254-F306 HydrophobicContact CE-CG 4.49Å; M254-F306 HydrophobicContact SD-CD2 3.91Å; M254-F306 HydrophobicContact SD-CE2 4.42Å; E258-F306 WeakPolarHBondContact OE2-CE1 3.19Å; H302-F306 WeakPolarHBondContact O-CB 3.45Å; H302-F306 PolarHBondContact O-N 3.36Å; L303-F306 PolarHBondContact O-N 3.34Å; H304-F306 VanDerWaalsContact C-N 3.25Å; H304-F306 PolarHBondContact O-N 3.3Å; F306-F308 VanDerWaalsContact C-N 3.35Å; F306-F309 PolarHBondContact O-N 3.09Å; F306-R310 HydrophobicContact CD2-CG 4.43Å; F306-R310 HydrophobicContact CE2-CG 4.28Å; F306-R310 HydrophobicContact CZ-CG 4.45Å; F306-R310 WeakPolarHBondContact O-CB 3.41Å; F306-R310 WeakPolarHBondContact O-CG 3.28Å; F306-R310 PolarHBondContact O-N 3.44Å
307	I	87.1	Confident	88.4	Confident	106 Å²	106	62.4 Å²	62.4	54%	0.544	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-46.7	173.4	-71.7	162.3	0	0	0	110	L303 H304 F309 R310 F311	L303-I307 WeakPolarHBondContact O-CB 2.92Å; L303-I307 WeakPolarHBondContact O-CD1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 2.97Å; L303-I307 PolarHBondContact O-N 2.68Å; H304-I307 PolarHBondContact O-N 3.31Å; I307-F309 PolarHBondContact O-N 2.82Å; I307-R310 PolarHBondContact O-N 3.21Å; I307-F311 PolarHBondContact O-N 3.42Å
308	F	88.4	Confident	87.7	Confident	54 Å²	54	59 Å²	59	24%	0.237	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-42.8	177.7	-175.7	-82.2	0	0	0	112.5	L25 H304 N305 F306 F311 S312	L25-F308 HydrophobicContact CB-CE2 4.14Å; L25-F308 HydrophobicContact CB-CZ 3.82Å; L25-F308 HydrophobicContact CD2-CD2 3.79Å; L25-F308 HydrophobicContact CD2-CE1 4.24Å; L25-F308 HydrophobicContact CD2-CE2 3.03Å; L25-F308 HydrophobicContact CD2-CZ 3.29Å; L25-F308 HydrophobicContact CG-CE2 4.1Å; L25-F308 HydrophobicContact CG-CZ 4.07Å; H304-F308 PolarHBondContact O-N 2.68Å; H304-F308 VanDerWaalsContact O-N 3.1Å; N305-F308 PolarHBondContact O-N 2.84Å; F306-F308 VanDerWaalsContact C-N 3.35Å; F308-F311 PolarHBondContact O-N 2.82Å; F308-S312 PolarHBondContact O-N 2.94Å; F308-S312 PolarHBondContact O-OG 3.34Å
309	F	85.1	Confident	87.3	Confident	54 Å²	54	57.7 Å²	57.7	24%	0.237	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-44.3	175.5	-175.5	-90.9	0	0	0	111.4	P250 I251 M254 N305 F306 I307 F311 S312 M313	P250-F309 HydrophobicContact CB-CZ 4.26Å; P250-F309 HydrophobicContact CG-CZ 4.41Å; I251-F309 HydrophobicContact CD1-CE1 4.11Å; I251-F309 HydrophobicContact CG1-CD1 4.17Å; I251-F309 HydrophobicContact CG1-CE1 3.5Å; I251-F309 VanDerWaalsContact CG1-CE1 3.5Å; I251-F309 HydrophobicContact CG1-CZ 4.47Å; M254-F309 HydrophobicContact SD-CB 4.44Å; M254-F309 HydrophobicContact SD-CD1 4.27Å; M254-F309 HydrophobicContact SD-CG 4.19Å; N305-F309 PolarHBondContact O-N 3.39Å; F306-F309 PolarHBondContact O-N 3.09Å; I307-F309 PolarHBondContact O-N 2.82Å; F309-F311 VanDerWaalsContact C-N 3.34Å; F309-F311 PolarHBondContact O-N 3.03Å; F309-S312 PolarHBondContact O-N 3.1Å; F309-M313 HydrophobicContact CD1-CG 4.07Å; F309-M313 HydrophobicContact CE1-CG 3.54Å; F309-M313 HydrophobicContact CE1-SD 4.44Å; F309-M313 HydrophobicContact CZ-CG 3.88Å; F309-M313 HydrophobicContact CZ-SD 4.27Å; F309-M313 WeakPolarHBondContact O-CB 3.35Å; F309-M313 WeakPolarHBondContact O-CG 3.47Å; F309-M313 PolarHBondContact O-N 3.46Å
310	R	82.3	Confident	86.7	Confident	99 Å²	99	58.4 Å²	58.4	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-40.3	175.5	-78.5	-177	179.6	-169.7	1.8	112.2	F306 I307 M313 G314	F306-R310 HydrophobicContact CD2-CG 4.43Å; F306-R310 HydrophobicContact CE2-CG 4.28Å; F306-R310 HydrophobicContact CZ-CG 4.45Å; F306-R310 WeakPolarHBondContact O-CB 3.41Å; F306-R310 WeakPolarHBondContact O-CG 3.28Å; F306-R310 PolarHBondContact O-N 3.44Å; I307-R310 PolarHBondContact O-N 3.21Å; R310-M313 PolarHBondContact O-N 3.01Å; R310-G314 PolarHBondContact O-N 3.25Å
311	F	86.1	Confident	85.7	Confident	99 Å²	99	57.9 Å²	57.9	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-59.7	-51	174.8	170.2	-95.5	0	0	0	111.1	L21 L25 I307 F308 F309 M313 G314 F315	L21-F311 HydrophobicContact CD2-CE1 4.42Å; L21-F311 HydrophobicContact CD2-CZ 4.08Å; L25-F311 HydrophobicContact CD1-CE1 4.17Å; L25-F311 HydrophobicContact CD2-CD1 4.26Å; L25-F311 HydrophobicContact CD2-CE1 4.16Å; I307-F311 PolarHBondContact O-N 3.42Å; F308-F311 PolarHBondContact O-N 2.82Å; F309-F311 VanDerWaalsContact C-N 3.34Å; F309-F311 PolarHBondContact O-N 3.03Å; F311-M313 VanDerWaalsContact C-N 3.3Å; F311-M313 PolarHBondContact O-N 3.43Å; F311-G314 PolarHBondContact O-N 3.47Å; F311-G314 VanDerWaalsContact O-N 3.16Å; F311-F315 PolarHBondContact O-N 3.22Å
312	S	86.1	Confident	84.8	Confident	42 Å²	42	60 Å²	60	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-59.2	-42.5	179.9	-54.7	0	0	0	0	111.6	F308 F309 V316	F308-S312 PolarHBondContact O-N 2.94Å; F308-S312 PolarHBondContact O-OG 3.34Å; F309-S312 PolarHBondContact O-N 3.1Å; S312-V316 WeakPolarHBondContact O-CG2 3.17Å; S312-V316 PolarHBondContact O-N 3.38Å
313	M	82.1	Confident	84.4	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-44.5	174.9	-78.8	-58.5	-42.7	0	0	112.8	L247 R248 F309 R310 F311 F315 V316 D317	L247-M313 HydrophobicContact CB-CE 4.29Å; L247-M313 HydrophobicContact CB-SD 4.44Å; L247-M313 HydrophobicContact CD2-CE 3.69Å; L247-M313 HydrophobicContact CD2-SD 3.61Å; L247-M313 HydrophobicContact CG-CE 3.95Å; L247-M313 HydrophobicContact CG-SD 3.58Å; L247-M313 VanDerWaalsContact CG-SD 3.58Å; R248-M313 HydrophobicContact CG-CE 3.38Å; R248-M313 HydrophobicContact CG-SD 4.43Å; F309-M313 HydrophobicContact CD1-CG 4.07Å; F309-M313 HydrophobicContact CE1-CG 3.54Å; F309-M313 HydrophobicContact CE1-SD 4.44Å; F309-M313 HydrophobicContact CZ-CG 3.88Å; F309-M313 HydrophobicContact CZ-SD 4.27Å; F309-M313 WeakPolarHBondContact O-CB 3.35Å; F309-M313 WeakPolarHBondContact O-CG 3.47Å; F309-M313 PolarHBondContact O-N 3.46Å; R310-M313 PolarHBondContact O-N 3.01Å; F311-M313 VanDerWaalsContact C-N 3.3Å; F311-M313 PolarHBondContact O-N 3.43Å; M313-F315 VanDerWaalsContact C-N 3.25Å; M313-F315 PolarHBondContact O-N 3.41Å; M313-V316 PolarHBondContact O-N 2.89Å; M313-V316 VanDerWaalsContact O-N 3.17Å; M313-D317 WeakPolarHBondContact O-CB 3.39Å; M313-D317 PolarHBondContact O-N 2.88Å
314	G	82	Confident	84.1	Confident	30 Å²	30	65.6 Å²	65.6	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-62.3	-33.3	179.1	0	0	0	0	0	112.9	R310 F311 S318	R310-G314 PolarHBondContact O-N 3.25Å; F311-G314 PolarHBondContact O-N 3.47Å; F311-G314 VanDerWaalsContact O-N 3.16Å; G314-S318 WeakPolarHBondContact O-CB 3.21Å; G314-S318 PolarHBondContact O-N 2.73Å; G314-S318 PolarHBondContact O-OG 3.36Å
315	F	85.1	Confident	83.4	Confident	125 Å²	125	59.7 Å²	59.7	55%	0.548	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-50.4	171.6	177.7	-101.8	0	0	0	111.6	F311 M313 S318 I319	F311-F315 PolarHBondContact O-N 3.22Å; M313-F315 VanDerWaalsContact C-N 3.25Å; M313-F315 PolarHBondContact O-N 3.41Å; F315-S318 PolarHBondContact O-N 3.04Å; F315-I319 HydrophobicContact CD1-CD1 3.95Å; F315-I319 HydrophobicContact CD2-CD1 4.49Å; F315-I319 HydrophobicContact CE1-CD1 3.38Å; F315-I319 HydrophobicContact CE2-CD1 3.99Å; F315-I319 HydrophobicContact CG-CD1 4.48Å; F315-I319 HydrophobicContact CZ-CD1 3.41Å; F315-I319 VanDerWaalsContact CZ-CD1 3.41Å; F315-I319 WeakPolarHBondContact O-CG1 3.41Å; F315-I319 PolarHBondContact O-N 3.33Å; F315-I319 VanDerWaalsContact O-N 3.08Å
316	V	85.4	Confident	82.9	Confident	42 Å²	42	57.4 Å²	57.4	26%	0.255	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-44.2	177.7	176.1	0	0	0	0	111.5	L244 L247 S312 M313 S318 I319 I320	L244-V316 HydrophobicContact CD2-CG1 4.01Å; L247-V316 HydrophobicContact CD2-CB 4.4Å; L247-V316 HydrophobicContact CD2-CG1 3.84Å; S312-V316 WeakPolarHBondContact O-CG2 3.17Å; S312-V316 PolarHBondContact O-N 3.38Å; M313-V316 PolarHBondContact O-N 2.89Å; M313-V316 VanDerWaalsContact O-N 3.17Å; V316-S318 VanDerWaalsContact C-N 3.3Å; V316-S318 PolarHBondContact O-N 2.94Å; V316-I319 PolarHBondContact O-N 2.97Å; V316-I320 HydrophobicContact CG1-CD1 3.77Å; V316-I320 HydrophobicContact CG1-CG1 4.45Å; V316-I320 PolarHBondContact O-N 3.3Å
317	D	79.3	Confident	82.7	Confident	22 Å²	22	61.3 Å²	61.3	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-43.7	176.6	-80.2	-11.3	0	0	0	110.6	L244 R248 M313 A321	L244-D317 WeakPolarHBondContact CD2-OD1 3.25Å; R248-D317 IonicContact NH1-OD1 3.99Å; R248-D317 IonicContact NH1-OD2 2.92Å; M313-D317 WeakPolarHBondContact O-CB 3.39Å; M313-D317 PolarHBondContact O-N 2.88Å; D317-A321 WeakPolarHBondContact O-CA 3.32Å; D317-A321 WeakPolarHBondContact O-CB 3.25Å; D317-A321 PolarHBondContact O-N 3.04Å
318	S	81	Confident	82.5	Confident	56 Å²	56	57.6 Å²	57.6	39%	0.392	29%	0.294	S	S	.	.	I	π-helix	trans	-66.1	-41.8	179.4	-60.6	0	0	0	0	112.2	G314 F315 V316 K322 Y323	G314-S318 WeakPolarHBondContact O-CB 3.21Å; G314-S318 PolarHBondContact O-N 2.73Å; G314-S318 PolarHBondContact O-OG 3.36Å; F315-S318 PolarHBondContact O-N 3.04Å; V316-S318 VanDerWaalsContact C-N 3.3Å; V316-S318 PolarHBondContact O-N 2.94Å; S318-K322 VanDerWaalsContact O-CB 3.28Å; S318-K322 WeakPolarHBondContact O-CB 3.47Å; S318-K322 PolarHBondContact O-N 3.07Å; S318-Y323 WeakPolarHBondContact O-CD2 3.45Å; S318-Y323 PolarHBondContact O-N 2.99Å
319	I	84.8	Confident	82.1	Confident	65 Å²	65	55 Å²	55	33%	0.333	28%	0.284	S	S	.	.	I	π-helix	trans	-60.7	-54.2	176.9	-70.9	175.4	0	0	0	110.6	F315 V316 Y323 V324	F315-I319 HydrophobicContact CD1-CD1 3.95Å; F315-I319 HydrophobicContact CD2-CD1 4.49Å; F315-I319 HydrophobicContact CE1-CD1 3.38Å; F315-I319 HydrophobicContact CE2-CD1 3.99Å; F315-I319 HydrophobicContact CG-CD1 4.48Å; F315-I319 HydrophobicContact CZ-CD1 3.41Å; F315-I319 VanDerWaalsContact CZ-CD1 3.41Å; F315-I319 WeakPolarHBondContact O-CG1 3.41Å; F315-I319 PolarHBondContact O-N 3.33Å; F315-I319 VanDerWaalsContact O-N 3.08Å; V316-I319 PolarHBondContact O-N 2.97Å; I319-Y323 PolarHBondContact O-N 3.3Å; I319-V324 HydrophobicContact CG2-CG2 4.08Å; I319-V324 WeakPolarHBondContact O-CG2 3.49Å; I319-V324 PolarHBondContact O-N 2.94Å
320	I	83.1	Confident	81.9	Confident	30 Å²	30	58.8 Å²	58.8	15%	0.154	30%	0.297	C	S	.	.	I	π-helix	trans	-75	-52.8	-172.1	-63.4	177.8	0	0	0	110.5	Y236 F243 L244 V316	Y236-I320 PolarHBondContact OH-O 2.67Å; F243-I320 HydrophobicContact CD1-CD1 3.66Å; F243-I320 HydrophobicContact CE1-CD1 3.59Å; L244-I320 HydrophobicContact CD1-CB 4.27Å; L244-I320 HydrophobicContact CD1-CG2 3.97Å; L244-I320 HydrophobicContact CD2-CB 4.41Å; L244-I320 HydrophobicContact CD2-CD1 3.85Å; L244-I320 HydrophobicContact CG-CD1 4.45Å; L244-I320 HydrophobicContact CG-CG2 4.29Å; V316-I320 HydrophobicContact CG1-CD1 3.77Å; V316-I320 HydrophobicContact CG1-CG1 4.45Å; V316-I320 PolarHBondContact O-N 3.3Å
321	A	74.7	Confident	81.8	Confident	12 Å²	12	59.8 Å²	59.8	10%	0.099	31%	0.309	C	S	.	.	I	π-helix	trans	-77	-27.6	-171.2	0	0	0	0	0	113.7	D317 A325	D317-A321 WeakPolarHBondContact O-CA 3.32Å; D317-A321 WeakPolarHBondContact O-CB 3.25Å; D317-A321 PolarHBondContact O-N 3.04Å; A321-A325 VanDerWaalsContact O-CB 3.26Å; A321-A325 WeakPolarHBondContact O-CB 3.45Å
322	K	76.1	Confident	81.5	Confident	121 Å²	121	55.5 Å²	55.5	53%	0.526	29%	0.291	S	S	.	.	I	π-helix	trans	-107.3	-59	-176.8	-173	-176.5	178.7	-176.9	0	112.4	S318 T326	S318-K322 VanDerWaalsContact O-CB 3.28Å; S318-K322 WeakPolarHBondContact O-CB 3.47Å; S318-K322 PolarHBondContact O-N 3.07Å; K322-T326 WeakPolarHBondContact O-CB 3.47Å; K322-T326 PolarHBondContact O-N 3.33Å; K322-T326 VanDerWaalsContact O-N 3.15Å; K322-T326 PolarHBondContact O-OG1 2.75Å
323	Y	83.1	Confident	81.2	Confident	137 Å²	137	53.6 Å²	53.6	54%	0.537	28%	0.278	S	S	.	.	I	π-helix	trans	-76.6	-52.3	-168.8	-63	-66.5	0	0	0	112.7	S318 I319 A325 T326 V327	S318-Y323 WeakPolarHBondContact O-CD2 3.45Å; S318-Y323 PolarHBondContact O-N 2.99Å; I319-Y323 PolarHBondContact O-N 3.3Å; Y323-A325 VanDerWaalsContact C-N 3.31Å; Y323-A325 PolarHBondContact O-N 3.11Å; Y323-T326 WeakPolarHBondContact O-CB 3.34Å; Y323-T326 PolarHBondContact O-N 2.82Å; Y323-T326 VanDerWaalsContact O-N 3.12Å; Y323-V327 PolarHBondContact O-N 3.35Å; Y323-V327 VanDerWaalsContact O-N 3.13Å
324	V	84.4	Confident	81.1	Confident	58 Å²	58	54.4 Å²	54.4	35%	0.352	28%	0.284	S	S	.	.	I	π-helix	trans	-64.8	-38.1	178	177.5	0	0	0	0	110.9	Y236 I319 T326 V327 V328	Y236-V324 HydrophobicContact CE2-CG1 3.65Å; Y236-V324 VanDerWaalsContact OH-CB 3.32Å; Y236-V324 WeakPolarHBondContact OH-CB 3.48Å; Y236-V324 VanDerWaalsContact OH-CG1 3.25Å; Y236-V324 WeakPolarHBondContact OH-CG1 3.44Å; I319-V324 HydrophobicContact CG2-CG2 4.08Å; I319-V324 WeakPolarHBondContact O-CG2 3.49Å; I319-V324 PolarHBondContact O-N 2.94Å; V324-T326 VanDerWaalsContact C-N 3.27Å; V324-T326 PolarHBondContact O-N 3.05Å; V324-V327 WeakPolarHBondContact O-CB 3.3Å; V324-V327 PolarHBondContact O-N 3.41Å; V324-V327 VanDerWaalsContact O-N 3.12Å; V324-V328 HydrophobicContact CG1-CG2 4.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.08Å; V324-V328 PolarHBondContact O-N 3.1Å
325	A	78.3	Confident	80.9	Confident	4 Å²	4	60 Å²	60	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-58.5	-37.9	173.6	0	0	0	0	0	112.7	Y236 A321 Y323 G329 S368	Y236-A325 HydrophobicContact CE1-CB 3.81Å; Y236-A325 PolarHBondContact OH-N 3.45Å; A321-A325 VanDerWaalsContact O-CB 3.26Å; A321-A325 WeakPolarHBondContact O-CB 3.45Å; Y323-A325 VanDerWaalsContact C-N 3.31Å; Y323-A325 PolarHBondContact O-N 3.11Å; A325-G329 PolarHBondContact O-N 2.97Å; A325-S368 VanDerWaalsContact CB-OG 3.27Å; A325-S368 WeakPolarHBondContact CB-OG 3.3Å
326	T	78.9	Confident	80.4	Confident	34 Å²	34	54.4 Å²	54.4	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-69	-37.7	175.9	-54.9	0	0	0	0	111.6	K322 Y323 V324 G329 Y330	K322-T326 WeakPolarHBondContact O-CB 3.47Å; K322-T326 PolarHBondContact O-N 3.33Å; K322-T326 VanDerWaalsContact O-N 3.15Å; K322-T326 PolarHBondContact O-OG1 2.75Å; Y323-T326 WeakPolarHBondContact O-CB 3.34Å; Y323-T326 PolarHBondContact O-N 2.82Å; Y323-T326 VanDerWaalsContact O-N 3.12Å; V324-T326 VanDerWaalsContact C-N 3.27Å; V324-T326 PolarHBondContact O-N 3.05Å; T326-G329 WeakPolarHBondContact O-CA 3.3Å; T326-G329 PolarHBondContact O-N 3.03Å; T326-Y330 HydrophobicContact CG2-CD2 4.08Å; T326-Y330 HydrophobicContact CG2-CE2 3.6Å; T326-Y330 WeakPolarHBondContact O-CD2 3.39Å; T326-Y330 PolarHBondContact O-N 3.37Å
327	V	83.9	Confident	80	Confident	86 Å²	86	54.6 Å²	54.6	52%	0.521	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-50.2	176.3	175.1	0	0	0	0	111.2	Y323 V324 G329 Y330 L331	Y323-V327 PolarHBondContact O-N 3.35Å; Y323-V327 VanDerWaalsContact O-N 3.13Å; V324-V327 WeakPolarHBondContact O-CB 3.3Å; V324-V327 PolarHBondContact O-N 3.41Å; V324-V327 VanDerWaalsContact O-N 3.12Å; V327-G329 PolarHBondContact O-N 3.24Å; V327-Y330 PolarHBondContact O-N 3.02Å; V327-L331 HydrophobicContact CG1-CD1 4.41Å; V327-L331 WeakPolarHBondContact O-CG 3.46Å; V327-L331 PolarHBondContact O-N 2.9Å; V327-L331 VanDerWaalsContact O-N 3.1Å
328	V	82.6	Confident	79.9	Confident	27 Å²	27	60 Å²	60	16%	0.164	30%	0.298	C	S	.	.	H	α-helix	trans	-56.2	-38.2	173.2	174.7	0	0	0	0	110	Y236 V324 L331 V332	Y236-V328 HydrophobicContact CD2-CG2 4Å; Y236-V328 HydrophobicContact CE2-CG2 4.22Å; Y236-V328 HydrophobicContact CG-CG1 4.45Å; Y236-V328 HydrophobicContact CG-CG2 4.2Å; V324-V328 HydrophobicContact CG1-CG2 4.46Å; V324-V328 WeakPolarHBondContact O-CG2 3.08Å; V324-V328 PolarHBondContact O-N 3.1Å; V328-L331 PolarHBondContact O-N 3.29Å; V328-V332 HydrophobicContact CG1-CG2 4.37Å; V328-V332 WeakPolarHBondContact O-CG2 3.39Å; V328-V332 PolarHBondContact O-N 2.88Å
329	G	79.2	Confident	79.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-55.4	-54.8	174.4	0	0	0	0	0	115	A325 T326 V327 L331 V332 V333 L364	A325-G329 PolarHBondContact O-N 2.97Å; T326-G329 WeakPolarHBondContact O-CA 3.3Å; T326-G329 PolarHBondContact O-N 3.03Å; V327-G329 PolarHBondContact O-N 3.24Å; G329-L331 VanDerWaalsContact C-N 3.28Å; G329-L331 PolarHBondContact O-N 3.4Å; G329-V332 PolarHBondContact O-N 2.93Å; G329-V333 PolarHBondContact O-N 2.88Å; G329-L364 WeakPolarHBondContact O-CD1 3.41Å
330	Y	80.7	Confident	78.8	Confident	133 Å²	133	65.8 Å²	65.8	52%	0.522	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-36.5	177.8	-72.1	-49.5	0	0	0	112.5	T326 V327 S334	T326-Y330 HydrophobicContact CG2-CD2 4.08Å; T326-Y330 HydrophobicContact CG2-CE2 3.6Å; T326-Y330 WeakPolarHBondContact O-CD2 3.39Å; T326-Y330 PolarHBondContact O-N 3.37Å; V327-Y330 PolarHBondContact O-N 3.02Å; Y330-S334 WeakPolarHBondContact O-CB 3.4Å; Y330-S334 PolarHBondContact O-N 3.16Å; Y330-S334 PolarHBondContact O-OG 3.25Å
331	L	81.9	Confident	77.8	Confident	119 Å²	119	68.9 Å²	68.9	62%	0.623	35%	0.349	S	S	*	.	H	α-helix	trans	-65.4	-39.9	176.1	-68.8	172.9	0	0	0	112.1	V327 V328 G329 S334	V327-L331 HydrophobicContact CG1-CD1 4.41Å; V327-L331 WeakPolarHBondContact O-CG 3.46Å; V327-L331 PolarHBondContact O-N 2.9Å; V327-L331 VanDerWaalsContact O-N 3.1Å; V328-L331 PolarHBondContact O-N 3.29Å; G329-L331 VanDerWaalsContact C-N 3.28Å; G329-L331 PolarHBondContact O-N 3.4Å; L331-S334 PolarHBondContact O-OG 3.36Å
332	V	79.7	Confident	77.5	Confident	9 Å²	9	70 Å²	70	6%	0.055	35%	0.353	C	S	.	.	H	α-helix	trans	-71.8	-45.7	179	168.2	0	0	0	0	111.3	G229 I232 V328 G329	G229-V332 VanDerWaalsContact CA-CG1 3.43Å; I232-V332 HydrophobicContact CB-CG2 4.36Å; I232-V332 HydrophobicContact CG2-CG2 4.16Å; V328-V332 HydrophobicContact CG1-CG2 4.37Å; V328-V332 WeakPolarHBondContact O-CG2 3.39Å; V328-V332 PolarHBondContact O-N 2.88Å; G329-V332 PolarHBondContact O-N 2.93Å
333	V	78.8	Confident	77	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	36%	0.363	C	S	.	.	H	α-helix	trans	-72.7	-34.3	-176.4	170.9	0	0	0	0	111.8	I225 G329 R335 P336 F337 Y357 L364	I225-V333 HydrophobicContact CD1-CB 4.42Å; I225-V333 HydrophobicContact CD1-CG1 4.43Å; I225-V333 HydrophobicContact CD1-CG2 4.07Å; G329-V333 PolarHBondContact O-N 2.88Å; V333-R335 PolarHBondContact O-N 3.13Å; V333-P336 WeakPolarHBondContact O-CD 3.39Å; V333-F337 HydrophobicContact CG1-CE2 4.24Å; V333-F337 WeakPolarHBondContact O-CD2 3.26Å; V333-F337 WeakPolarHBondContact O-CE2 3.26Å; V333-Y357 HydrophobicContact CG1-CD2 3.82Å; V333-Y357 HydrophobicContact CG1-CE2 3.79Å; V333-L364 HydrophobicContact CG2-CB 4.18Å; V333-L364 HydrophobicContact CG2-CD1 3.33Å; V333-L364 HydrophobicContact CG2-CG 4.38Å
334	S	79.1	Confident	76.3	Confident	29 Å²	29	69.4 Å²	69.4	20%	0.203	36%	0.361	C	S	.	.	H	α-helix	trans	-74.2	-21.9	-178.4	59.9	0	0	0	0	114.2	Y330 L331 F337 L338	Y330-S334 WeakPolarHBondContact O-CB 3.4Å; Y330-S334 PolarHBondContact O-N 3.16Å; Y330-S334 PolarHBondContact O-OG 3.25Å; L331-S334 PolarHBondContact O-OG 3.36Å; S334-F337 PolarHBondContact O-N 3.3Å; S334-L338 WeakPolarHBondContact O-CB 3.38Å; S334-L338 VanDerWaalsContact O-CG 3.3Å; S334-L338 WeakPolarHBondContact O-CG 3.35Å; S334-L338 PolarHBondContact O-N 3.33Å
335	R	78.7	Confident	75.6	Confident	148 Å²	148	68 Å²	68	56%	0.558	35%	0.351	S	S	*	.	H	α-helix	trans	-55.1	-50.2	-175.7	-167.2	179.5	-178.8	167.5	-0.4	115.5	V333 N339	V333-R335 PolarHBondContact O-N 3.13Å; R335-N339 WeakPolarHBondContact O-CB 3.41Å; R335-N339 PolarHBondContact O-N 3.33Å
336	P	75.6	Confident	75	Confident	7 Å²	7	72.8 Å²	72.8	5%	0.045	38%	0.375	C	S	.	.	H	α-helix	trans	-67.8	-35.4	177.7	29.1	-39.7	0	0	0	112.9	I225 V333 N339 D342	I225-P336 HydrophobicContact CB-CG 4.27Å; I225-P336 HydrophobicContact CD1-CG 4.4Å; I225-P336 HydrophobicContact CG1-CG 4.1Å; I225-P336 HydrophobicContact CG2-CB 4.31Å; I225-P336 HydrophobicContact CG2-CG 3.59Å; V333-P336 WeakPolarHBondContact O-CD 3.39Å; P336-N339 PolarHBondContact O-N 3.15Å; P336-D342 WeakPolarHBondContact CA-OD2 3.49Å; P336-D342 VanDerWaalsContact CB-OD2 3.24Å; P336-D342 WeakPolarHBondContact CB-OD2 3.38Å
337	F	76.3	Confident	74.3	Confident	47 Å²	47	79.4 Å²	79.4	21%	0.206	40%	0.403	C	S	.	.	H	α-helix	trans	-75.7	-29.3	-178.5	-60.8	-89	0	0	0	113	V333 S334 H345 L353 D356 Y357	V333-F337 HydrophobicContact CG1-CE2 4.24Å; V333-F337 WeakPolarHBondContact O-CD2 3.26Å; V333-F337 WeakPolarHBondContact O-CE2 3.26Å; S334-F337 PolarHBondContact O-N 3.3Å; F337-H345 AromaticContact CE1-CE1 3.82Å; F337-H345 AromaticContact CE1-NE2 3.64Å; F337-H345 AromaticContact CZ-NE2 3.98Å; F337-L353 HydrophobicContact CD1-CD2 4.06Å; F337-L353 HydrophobicContact CE1-CD2 4.45Å; F337-D356 HydrophobicContact CE1-CB 4.02Å; F337-D356 HydrophobicContact CZ-CB 4.07Å; F337-Y357 AromaticContact CD2-CD2 3.97Å; F337-Y357 HydrophobicContact CD2-CD2 3.97Å; F337-Y357 HydrophobicContact CE2-CD2 4.04Å; F337-Y357 HydrophobicContact CG-CD2 4.37Å; F337-Y357 HydrophobicContact CZ-CD2 4.49Å
338	L	76.4	Confident	73.8	Confident	134 Å²	134	76.8 Å²	76.8	70%	0.702	39%	0.389	S	S	*	.	H	α-helix	trans	-84.3	-18.1	176.1	-67.4	175.5	0	0	0	112.6	S334 L340	S334-L338 WeakPolarHBondContact O-CB 3.38Å; S334-L338 VanDerWaalsContact O-CG 3.3Å; S334-L338 WeakPolarHBondContact O-CG 3.35Å; S334-L338 PolarHBondContact O-N 3.33Å; L338-L340 PolarHBondContact O-N 3.49Å
339	N	76.6	Confident	73.5	Confident	83 Å²	83	79.3 Å²	79.3	44%	0.444	41%	0.405	S	S	.	.			trans	-85.8	101.2	177	-168.8	3.2	0	0	0	110.2	R335 P336 S341 D342	R335-N339 WeakPolarHBondContact O-CB 3.41Å; R335-N339 PolarHBondContact O-N 3.33Å; P336-N339 PolarHBondContact O-N 3.15Å; N339-S341 PolarHBondContact O-N 3.1Å; N339-S341 PolarHBondContact OD1-N 3.37Å; N339-D342 WeakPolarHBondContact O-CB 3.44Å; N339-D342 PolarHBondContact O-N 3.3Å; N339-D342 VanDerWaalsContact O-N 3.11Å
340	L	66.4	Low	73.1	Confident	161 Å²	161	86.1 Å²	86.1	84%	0.843	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.5	180	-71.1	155.1	0	0	0	114.3	L338 L346	L338-L340 PolarHBondContact O-N 3.49Å; L340-L346 WeakPolarHBondContact O-CD1 3.21Å
341	S	62.9	Low	72.5	Confident	94 Å²	94	83.1 Å²	83.1	66%	0.657	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	5.2	-179.7	-46	0	0	0	0	113.6	N339 P343	N339-S341 PolarHBondContact O-N 3.1Å; N339-S341 PolarHBondContact OD1-N 3.37Å; S341-P343 WeakPolarHBondContact O-CD 3.38Å
342	D	67.8	Low	72.1	Confident	36 Å²	36	81.8 Å²	81.8	19%	0.193	43%	0.425	C	S	.	.			trans	-73.7	119.7	-176.6	-156.3	-39	0	0	0	110.8	P336 N339 R344 H345 L346	P336-D342 WeakPolarHBondContact CA-OD2 3.49Å; P336-D342 VanDerWaalsContact CB-OD2 3.24Å; P336-D342 WeakPolarHBondContact CB-OD2 3.38Å; N339-D342 WeakPolarHBondContact O-CB 3.44Å; N339-D342 PolarHBondContact O-N 3.3Å; N339-D342 VanDerWaalsContact O-N 3.11Å; D342-R344 PolarHBondContact O-N 3.4Å; D342-H345 PolarHBondContact O-N 3.45Å; D342-H345 VanDerWaalsContact O-N 3.13Å; D342-L346 PolarHBondContact O-N 3.08Å
343	P	66.1	Low	71.9	Confident	114 Å²	114	83.7 Å²	83.7	74%	0.74	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.1	-172.4	20.3	-33.1	0	0	0	114.7	S341	S341-P343 WeakPolarHBondContact O-CD 3.38Å
344	R	67.3	Low	71.7	Confident	131 Å²	131	86.6 Å²	86.6	49%	0.494	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-31.8	177.5	-83.1	-178.3	-174.2	159.9	-2.5	114.8	S223 A224 D342 S348	S223-R344 PolarHBondContact O-NH1 3.31Å; S223-R344 PolarHBondContact O-NH2 3.27Å; A224-R344 PolarHBondContact O-NH1 2.94Å; D342-R344 PolarHBondContact O-N 3.4Å; R344-S348 PolarHBondContact O-OG 3.3Å
345	H	70.1	Confident	71.5	Confident	28 Å²	28	88.3 Å²	88.3	13%	0.13	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	4	-169.1	-68.9	-47.8	0	0	0	113.3	F337 D342 H347 S348 L353 D356	F337-H345 AromaticContact CE1-CE1 3.82Å; F337-H345 AromaticContact CE1-NE2 3.64Å; F337-H345 AromaticContact CZ-NE2 3.98Å; D342-H345 PolarHBondContact O-N 3.45Å; D342-H345 VanDerWaalsContact O-N 3.13Å; H345-H347 VanDerWaalsContact C-N 3.27Å; H345-H347 PolarHBondContact O-N 2.94Å; H345-S348 WeakPolarHBondContact CA-OG 3.47Å; H345-S348 PolarHBondContact ND1-OG 3.09Å; H345-L353 HydrophobicContact CB-CD2 3.75Å; H345-L353 WeakPolarHBondContact ND1-CD2 3.43Å; H345-D356 IonicContact CE1-OD2 3.47Å
346	L	65.3	Low	71.4	Confident	106 Å²	106	84.2 Å²	84.2	56%	0.555	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.5	-179.1	-148.5	80.9	0	0	0	113.5	L340 D342	L340-L346 WeakPolarHBondContact O-CD1 3.21Å; D342-L346 PolarHBondContact O-N 3.08Å
347	H	64.7	Low	71.5	Confident	172 Å²	172	87.4 Å²	87.4	80%	0.796	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	6.6	-178	-63.4	-59.1	0	0	0	113.9	H345	H345-H347 VanDerWaalsContact C-N 3.27Å; H345-H347 PolarHBondContact O-N 2.94Å
348	S	73.3	Confident	71.7	Confident	31 Å²	31	90.7 Å²	90.7	22%	0.217	47%	0.468	C	S	.	.			trans	-79.1	141.6	-173.9	-52.3	0	0	0	0	112.3	R344 H345 E352	R344-S348 PolarHBondContact O-OG 3.3Å; H345-S348 WeakPolarHBondContact CA-OG 3.47Å; H345-S348 PolarHBondContact ND1-OG 3.09Å; S348-E352 WeakPolarHBondContact CA-OE2 3.38Å
349	T	75.8	Confident	71.7	Confident	81 Å²	81	86.5 Å²	86.5	50%	0.497	44%	0.444	S	S	.	.			trans	-74.6	154.3	173.3	-51.4	0	0	0	0	110.6	S351 E352 L353	T349-S351 WeakPolarHBondContact CG2-OG 3.26Å; T349-S351 PolarHBondContact O-N 3.26Å; T349-S351 VanDerWaalsContact O-N 3.11Å; T349-E352 PolarHBondContact N-OE2 3.36Å; T349-E352 PolarHBondContact O-N 3.22Å; T349-L353 PolarHBondContact O-N 2.87Å
350	H	71.5	Confident	71.9	Confident	143 Å²	143	82.8 Å²	82.8	66%	0.662	43%	0.425	S	S	*	.	H	α-helix	trans	-55.2	-30.4	176.9	-170.6	-83.6	0	0	0	113.4	L354	H350-L354 WeakPolarHBondContact O-CB 3.29Å; H350-L354 VanDerWaalsContact O-CG 3.29Å; H350-L354 WeakPolarHBondContact O-CG 3.36Å; H350-L354 PolarHBondContact O-N 3.08Å; H350-L354 VanDerWaalsContact O-N 3.16Å
351	S	68.1	Low	72.5	Confident	71 Å²	71	76.2 Å²	76.2	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-68.2	-42.4	173.4	47.2	0	0	0	0	113	T349 L354 E355	T349-S351 WeakPolarHBondContact CG2-OG 3.26Å; T349-S351 PolarHBondContact O-N 3.26Å; T349-S351 VanDerWaalsContact O-N 3.11Å; S351-L354 PolarHBondContact O-N 2.95Å; S351-E355 WeakPolarHBondContact O-CB 3.49Å; S351-E355 PolarHBondContact O-N 2.95Å
352	E	73.9	Confident	73.3	Confident	91 Å²	91	76 Å²	76	43%	0.425	38%	0.381	S	S	.	.	H	α-helix	trans	-70	-40.1	179.4	-63.9	170	160.2	0	0	110.9	S348 T349 L354 E355 D356	S348-E352 WeakPolarHBondContact CA-OE2 3.38Å; T349-E352 PolarHBondContact N-OE2 3.36Å; T349-E352 PolarHBondContact O-N 3.22Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 3.47Å; E352-E355 PolarHBondContact O-N 3.46Å; E352-D356 PolarHBondContact O-N 3.1Å
353	L	75.8	Confident	73.8	Confident	48 Å²	48	74.8 Å²	74.8	25%	0.251	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-43	173.7	-71.5	168.4	0	0	0	112	F337 H345 T349 Y357	F337-L353 HydrophobicContact CD1-CD2 4.06Å; F337-L353 HydrophobicContact CE1-CD2 4.45Å; H345-L353 HydrophobicContact CB-CD2 3.75Å; H345-L353 WeakPolarHBondContact ND1-CD2 3.43Å; T349-L353 PolarHBondContact O-N 2.87Å; L353-Y357 WeakPolarHBondContact O-CB 3.41Å; L353-Y357 PolarHBondContact O-N 2.92Å
354	L	74.6	Confident	74.3	Confident	64 Å²	64	69.8 Å²	69.8	34%	0.335	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-44	175.1	-77.8	174.8	0	0	0	111.3	H350 S351 E352 Y357 Y358	H350-L354 WeakPolarHBondContact O-CB 3.29Å; H350-L354 VanDerWaalsContact O-CG 3.29Å; H350-L354 WeakPolarHBondContact O-CG 3.36Å; H350-L354 PolarHBondContact O-N 3.08Å; H350-L354 VanDerWaalsContact O-N 3.16Å; S351-L354 PolarHBondContact O-N 2.95Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 3.47Å; L354-Y357 PolarHBondContact O-N 3.31Å; L354-Y358 HydrophobicContact CB-CD2 4.43Å; L354-Y358 HydrophobicContact CD2-CE2 4.24Å; L354-Y358 WeakPolarHBondContact O-CB 3.46Å; L354-Y358 WeakPolarHBondContact O-CD2 3.5Å; L354-Y358 PolarHBondContact O-N 3.01Å
355	E	74.2	Confident	74.8	Confident	64 Å²	64	67.1 Å²	67.1	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-59.3	-50.6	178.9	-173.7	173.5	172.5	0	0	112	T108 S351 E352 Y357 Y358 Q359	T108-E355 HydrophobicContact CG2-CG 4.03Å; S351-E355 WeakPolarHBondContact O-CB 3.49Å; S351-E355 PolarHBondContact O-N 2.95Å; E352-E355 PolarHBondContact O-N 3.46Å; E355-Y357 PolarHBondContact O-N 3.43Å; E355-Y358 PolarHBondContact O-N 3.43Å; E355-Q359 WeakPolarHBondContact O-CB 3.49Å; E355-Q359 PolarHBondContact O-N 2.96Å
356	D	75.9	Confident	75.2	Confident	63 Å²	63	70.3 Å²	70.3	34%	0.337	35%	0.347	S	S	.	.	H	α-helix	trans	-65	-39	179.1	-81.7	-11.5	0	0	0	112.3	F337 H345 E352 S360	F337-D356 HydrophobicContact CE1-CB 4.02Å; F337-D356 HydrophobicContact CZ-CB 4.07Å; H345-D356 IonicContact CE1-OD2 3.47Å; E352-D356 PolarHBondContact O-N 3.1Å; D356-S360 WeakPolarHBondContact O-CB 3.5Å; D356-S360 PolarHBondContact O-N 3.43Å; D356-S360 PolarHBondContact O-OG 2.84Å
357	Y	79.7	Confident	75.8	Confident	74 Å²	74	65.4 Å²	65.4	29%	0.29	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-46.6	175.4	177	-99.7	0	0	0	111.5	V333 F337 L353 L354 E355 S360 G361	V333-Y357 HydrophobicContact CG1-CD2 3.82Å; V333-Y357 HydrophobicContact CG1-CE2 3.79Å; F337-Y357 AromaticContact CD2-CD2 3.97Å; F337-Y357 HydrophobicContact CD2-CD2 3.97Å; F337-Y357 HydrophobicContact CE2-CD2 4.04Å; F337-Y357 HydrophobicContact CG-CD2 4.37Å; F337-Y357 HydrophobicContact CZ-CD2 4.49Å; L353-Y357 WeakPolarHBondContact O-CB 3.41Å; L353-Y357 PolarHBondContact O-N 2.92Å; L354-Y357 PolarHBondContact O-N 3.31Å; E355-Y357 PolarHBondContact O-N 3.43Å; Y357-S360 PolarHBondContact O-N 3.45Å; Y357-G361 PolarHBondContact O-N 3.26Å
358	Y	78.9	Confident	76.4	Confident	116 Å²	116	57.6 Å²	57.6	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-41.7	178	-88.3	-66.8	0	0	0	111.8	L354 E355 R362	L354-Y358 HydrophobicContact CB-CD2 4.43Å; L354-Y358 HydrophobicContact CD2-CE2 4.24Å; L354-Y358 WeakPolarHBondContact O-CB 3.46Å; L354-Y358 WeakPolarHBondContact O-CD2 3.5Å; L354-Y358 PolarHBondContact O-N 3.01Å; E355-Y358 PolarHBondContact O-N 3.43Å; Y358-R362 WeakPolarHBondContact O-CB 3.31Å; Y358-R362 WeakPolarHBondContact O-CG 3.18Å; Y358-R362 PolarHBondContact O-N 3.17Å
359	Q	77.6	Confident	76.6	Confident	45 Å²	45	60.1 Å²	60.1	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-50.2	176.6	-172.4	-177	59.2	0	0	111	E355 G361 R362 M363	E355-Q359 WeakPolarHBondContact O-CB 3.49Å; E355-Q359 PolarHBondContact O-N 2.96Å; Q359-G361 PolarHBondContact O-N 3.44Å; Q359-R362 PolarHBondContact O-N 3.45Å; Q359-M363 HydrophobicContact CG-CE 3.57Å; Q359-M363 HydrophobicContact CG-SD 4.4Å; Q359-M363 WeakPolarHBondContact O-CG 3.14Å; Q359-M363 PolarHBondContact O-N 3.14Å
360	S	79.2	Confident	76.8	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.035	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-42.1	179.1	-64.1	0	0	0	0	112.3	D356 Y357 M363 L364	D356-S360 WeakPolarHBondContact O-CB 3.5Å; D356-S360 PolarHBondContact O-N 3.43Å; D356-S360 PolarHBondContact O-OG 2.84Å; Y357-S360 PolarHBondContact O-N 3.45Å; S360-M363 PolarHBondContact O-N 3.4Å; S360-L364 WeakPolarHBondContact O-CB 3.44Å; S360-L364 PolarHBondContact O-N 3.13Å
361	G	79.3	Confident	76.9	Confident	24 Å²	24	50 Å²	50	25%	0.247	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-41.6	176.7	0	0	0	0	0	113.1	Y357 Q359 L364 L365	Y357-G361 PolarHBondContact O-N 3.26Å; Q359-G361 PolarHBondContact O-N 3.44Å; G361-L364 PolarHBondContact O-N 3.45Å; G361-L365 PolarHBondContact O-N 3.34Å
362	R	79.6	Confident	77.1	Confident	90 Å²	90	47.3 Å²	47.3	34%	0.34	23%	0.226	S	C	.	.	H	α-helix	trans	-66.7	-42.5	175.9	-78.1	-176.3	174.7	-173	-1.6	112.4	I104 E111 Y358 Q359 L364 L365 R366	I104-R362 HydrophobicContact CG2-CB 4.3Å; E111-R362 IonicContact OE1-CZ 2.8Å; E111-R362 IonicContact OE1-NH1 3.04Å; E111-R362 PolarHBondContact OE1-NH1 3.42Å; E111-R362 IonicContact OE1-NH2 2.76Å; E111-R362 PolarHBondContact OE1-NH2 3.38Å; E111-R362 IonicContact OE2-CZ 3.64Å; E111-R362 IonicContact OE2-NH1 2.97Å; E111-R362 PolarHBondContact OE2-NH1 2.92Å; E111-R362 IonicContact OE2-NH2 3.24Å; E111-R362 PolarHBondContact OE2-NH2 2.94Å; Y358-R362 WeakPolarHBondContact O-CB 3.31Å; Y358-R362 WeakPolarHBondContact O-CG 3.18Å; Y358-R362 PolarHBondContact O-N 3.17Å; Q359-R362 PolarHBondContact O-N 3.45Å; R362-L364 VanDerWaalsContact C-N 3.3Å; R362-L364 PolarHBondContact O-N 3.08Å; R362-L365 PolarHBondContact O-N 3.45Å; R362-R366 WeakPolarHBondContact O-CG 3.24Å; R362-R366 PolarHBondContact O-N 3.24Å
363	M	79.5	Confident	77.4	Confident	10 Å²	10	48.6 Å²	48.6	5%	0.049	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-42	175.5	-71.3	-178.9	-174.5	0	0	111.1	Y217 K220 Q359 S360 R366 M367	Y217-M363 HydrophobicContact CD1-CB 4.07Å; Y217-M363 HydrophobicContact CD1-CG 4.07Å; Y217-M363 HydrophobicContact CE1-CG 4.23Å; K220-M363 HydrophobicContact CB-SD 4.23Å; K220-M363 HydrophobicContact CD-CE 4.04Å; K220-M363 HydrophobicContact CD-SD 4.3Å; Q359-M363 HydrophobicContact CG-CE 3.57Å; Q359-M363 HydrophobicContact CG-SD 4.4Å; Q359-M363 WeakPolarHBondContact O-CG 3.14Å; Q359-M363 PolarHBondContact O-N 3.14Å; S360-M363 PolarHBondContact O-N 3.4Å; M363-R366 PolarHBondContact O-N 2.94Å; M363-M367 PolarHBondContact O-N 3.47Å
364	L	77.1	Confident	77.5	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-44.9	176.9	-170	144.8	0	0	0	112.5	M233 G329 V333 S360 G361 R362 R366 M367 S368	M233-L364 HydrophobicContact CE-CD1 3.44Å; M233-L364 VanDerWaalsContact CE-CD1 3.44Å; M233-L364 HydrophobicContact CE-CG 3.75Å; M233-L364 HydrophobicContact SD-CD1 3.64Å; M233-L364 HydrophobicContact SD-CD2 4.26Å; M233-L364 HydrophobicContact SD-CG 3.75Å; G329-L364 WeakPolarHBondContact O-CD1 3.41Å; V333-L364 HydrophobicContact CG2-CB 4.18Å; V333-L364 HydrophobicContact CG2-CD1 3.33Å; V333-L364 HydrophobicContact CG2-CG 4.38Å; S360-L364 WeakPolarHBondContact O-CB 3.44Å; S360-L364 PolarHBondContact O-N 3.13Å; G361-L364 PolarHBondContact O-N 3.45Å; R362-L364 VanDerWaalsContact C-N 3.3Å; R362-L364 PolarHBondContact O-N 3.08Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 3.31Å; L364-M367 WeakPolarHBondContact O-CB 3.13Å; L364-M367 PolarHBondContact O-N 3.2Å; L364-M367 VanDerWaalsContact O-N 3.11Å; L364-S368 PolarHBondContact O-N 3.29Å
365	L	76.8	Confident	77.4	Confident	74 Å²	74	45.7 Å²	45.7	39%	0.387	21%	0.212	S	C	.	.	H	α-helix	trans	-62.5	-38.4	179.1	-172.4	133.4	0	0	0	111.4	G361 R362 S368 Q369	G361-L365 PolarHBondContact O-N 3.34Å; R362-L365 PolarHBondContact O-N 3.45Å; L365-S368 PolarHBondContact O-N 2.87Å; L365-Q369 VanDerWaalsContact CD2-NE2 3.32Å; L365-Q369 VanDerWaalsContact O-CG 3.3Å; L365-Q369 WeakPolarHBondContact O-CG 3.32Å; L365-Q369 PolarHBondContact O-N 2.86Å
366	R	78.5	Confident	77.2	Confident	95 Å²	95	47 Å²	47	36%	0.358	22%	0.221	S	C	.	.	H	α-helix	trans	-64.6	-39.7	172.1	-71.1	-64.7	-169.5	-173	5.2	112.3	I104 Y217 R362 M363 L364 Q369 A370	I104-R366 HydrophobicContact CD1-CG 4.05Å; Y217-R366 HydrophobicContact CD2-CB 4.34Å; Y217-R366 HydrophobicContact CE2-CB 3.59Å; R362-R366 WeakPolarHBondContact O-CG 3.24Å; R362-R366 PolarHBondContact O-N 3.24Å; M363-R366 PolarHBondContact O-N 2.94Å; L364-R366 VanDerWaalsContact C-N 3.29Å; L364-R366 PolarHBondContact O-N 3.31Å; R366-Q369 WeakPolarHBondContact O-CB 3.46Å; R366-Q369 PolarHBondContact O-N 3.2Å; R366-A370 WeakPolarHBondContact O-CB 3.47Å; R366-A370 PolarHBondContact O-N 3.14Å
367	M	77.5	Confident	77.4	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-41.1	176.9	-157.5	-170.9	78.3	0	0	112.3	I214 Y217 I218 M233 L237 M363 L364 A370 L371	I214-M367 HydrophobicContact CB-CG 4.49Å; I214-M367 HydrophobicContact CG1-CG 3.98Å; Y217-M367 HydrophobicContact CD2-CB 4.19Å; Y217-M367 HydrophobicContact CD2-CG 4.49Å; I218-M367 HydrophobicContact CG1-SD 3.92Å; M233-M367 HydrophobicContact CB-CE 4.2Å; M233-M367 HydrophobicContact CE-CE 3.1Å; M233-M367 HydrophobicContact CE-SD 4.02Å; M233-M367 HydrophobicContact CG-CE 3.37Å; M233-M367 HydrophobicContact SD-CE 3.29Å; M233-M367 WeakPolarHBondContact SD-CE 3.24Å; L237-M367 HydrophobicContact CD1-CE 4.24Å; M363-M367 PolarHBondContact O-N 3.47Å; L364-M367 WeakPolarHBondContact O-CB 3.13Å; L364-M367 PolarHBondContact O-N 3.2Å; L364-M367 VanDerWaalsContact O-N 3.11Å; M367-A370 WeakPolarHBondContact O-CB 3.48Å; M367-A370 PolarHBondContact O-N 3.22Å; M367-L371 PolarHBondContact O-N 2.98Å
368	S	77.1	Confident	77	Confident	9 Å²	9	42 Å²	42	6%	0.063	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-41.6	172.8	173.8	0	0	0	0	112	A325 L364 L365 A370 L371 G372	A325-S368 VanDerWaalsContact CB-OG 3.27Å; A325-S368 WeakPolarHBondContact CB-OG 3.3Å; L364-S368 PolarHBondContact O-N 3.29Å; L365-S368 PolarHBondContact O-N 2.87Å; S368-A370 PolarHBondContact O-N 3.09Å; S368-L371 WeakPolarHBondContact O-CB 3.12Å; S368-L371 PolarHBondContact O-N 3.3Å; S368-G372 PolarHBondContact O-N 2.69Å
369	Q	78.2	Confident	76.6	Confident	83 Å²	83	41.6 Å²	41.6	39%	0.388	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-41.4	173	-71.8	173.7	-1.3	0	0	112.4	L365 R366 G372 R373	L365-Q369 VanDerWaalsContact CD2-NE2 3.32Å; L365-Q369 VanDerWaalsContact O-CG 3.3Å; L365-Q369 WeakPolarHBondContact O-CG 3.32Å; L365-Q369 PolarHBondContact O-N 2.86Å; R366-Q369 WeakPolarHBondContact O-CB 3.46Å; R366-Q369 PolarHBondContact O-N 3.2Å; Q369-G372 PolarHBondContact O-N 3.06Å; Q369-R373 WeakPolarHBondContact O-CG 3.45Å; Q369-R373 PolarHBondContact O-N 3.4Å
370	A	79.6	Confident	76.5	Confident	3 Å²	3	41.7 Å²	41.7	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-45.2	175.7	0	0	0	0	0	110.9	P210 D213 I214 R366 M367 S368 G372 R373 I374	P210-A370 HydrophobicContact CB-CB 3.93Å; P210-A370 WeakPolarHBondContact CB-O 3.21Å; D213-A370 HydrophobicContact CB-CB 4.17Å; I214-A370 HydrophobicContact CD1-CB 4.29Å; I214-A370 HydrophobicContact CG1-CB 3.92Å; R366-A370 WeakPolarHBondContact O-CB 3.47Å; R366-A370 PolarHBondContact O-N 3.14Å; M367-A370 WeakPolarHBondContact O-CB 3.48Å; M367-A370 PolarHBondContact O-N 3.22Å; S368-A370 PolarHBondContact O-N 3.09Å; A370-G372 PolarHBondContact O-N 3.4Å; A370-R373 WeakPolarHBondContact O-CB 3.3Å; A370-R373 PolarHBondContact O-N 3.21Å; A370-R373 VanDerWaalsContact O-N 3.14Å; A370-I374 PolarHBondContact O-N 3.1Å
371	L	74.3	Confident	76.5	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-55.5	-51.3	171.6	178.3	86.3	0	0	0	111.5	L237 M367 S368 R373 I374 V375	L237-L371 HydrophobicContact CB-CD1 3.41Å; L237-L371 VanDerWaalsContact CB-CD1 3.41Å; L237-L371 HydrophobicContact CD1-CD1 3.89Å; L237-L371 HydrophobicContact CD2-CB 3.93Å; L237-L371 HydrophobicContact CD2-CD1 3.33Å; L237-L371 HydrophobicContact CD2-CD2 3.34Å; L237-L371 HydrophobicContact CD2-CG 3.62Å; L237-L371 HydrophobicContact CG-CD1 3.59Å; L237-L371 HydrophobicContact CG-CD2 4.47Å; L237-L371 HydrophobicContact CG-CG 4.42Å; M367-L371 PolarHBondContact O-N 2.98Å; S368-L371 WeakPolarHBondContact O-CB 3.12Å; S368-L371 PolarHBondContact O-N 3.3Å; L371-R373 PolarHBondContact O-N 3.16Å; L371-R373 VanDerWaalsContact O-N 3.15Å; L371-I374 PolarHBondContact O-N 3.49Å; L371-V375 HydrophobicContact CD1-CG2 4.46Å; L371-V375 HydrophobicContact CG-CG2 4.15Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 3.49Å
372	G	72.1	Confident	76.3	Confident	13 Å²	13	43.7 Å²	43.7	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-52.9	-38.2	179.4	0	0	0	0	0	111.8	S368 Q369 A370 L376	S368-G372 PolarHBondContact O-N 2.69Å; Q369-G372 PolarHBondContact O-N 3.06Å; A370-G372 PolarHBondContact O-N 3.4Å; G372-L376 WeakPolarHBondContact O-CB 3.43Å; G372-L376 WeakPolarHBondContact O-CG 3.45Å; G372-L376 PolarHBondContact O-N 3.37Å
373	R	78.9	Confident	76.1	Confident	119 Å²	119	44.4 Å²	44.4	45%	0.449	21%	0.212	S	C	.	.	H	α-helix	trans	-67.6	-43.1	174.4	-69.2	179.4	-177.8	177.5	2.1	113.5	P210 Q369 A370 L371 V375 L376 A377	P210-R373 HydrophobicContact CG-CB 3.8Å; Q369-R373 WeakPolarHBondContact O-CG 3.45Å; Q369-R373 PolarHBondContact O-N 3.4Å; A370-R373 WeakPolarHBondContact O-CB 3.3Å; A370-R373 PolarHBondContact O-N 3.21Å; A370-R373 VanDerWaalsContact O-N 3.14Å; L371-R373 PolarHBondContact O-N 3.16Å; L371-R373 VanDerWaalsContact O-N 3.15Å; R373-V375 VanDerWaalsContact C-N 3.32Å; R373-V375 PolarHBondContact O-N 3.3Å; R373-L376 CarbonylContact O-C 3.55Å; R373-L376 PolarHBondContact O-N 3.41Å; R373-A377 PolarHBondContact O-N 2.9Å
374	I	79.2	Confident	76.3	Confident	41 Å²	41	44 Å²	44	21%	0.21	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-44.6	175.2	-64.5	-178.9	0	0	0	110.7	L207 P210 L211 I214 A370 L371 L376 A377 G378	L207-I374 HydrophobicContact CD1-CG1 4.42Å; L207-I374 HydrophobicContact CD1-CG2 4.12Å; P210-I374 HydrophobicContact CB-CD1 3.84Å; P210-I374 HydrophobicContact CB-CG1 3.47Å; P210-I374 VanDerWaalsContact CB-CG1 3.47Å; P210-I374 HydrophobicContact CG-CG1 4.26Å; L211-I374 HydrophobicContact CD2-CD1 3.82Å; L211-I374 HydrophobicContact CG-CD1 4.14Å; I214-I374 HydrophobicContact CD1-CD1 3.48Å; I214-I374 VanDerWaalsContact CD1-CD1 3.48Å; A370-I374 PolarHBondContact O-N 3.1Å; L371-I374 PolarHBondContact O-N 3.49Å; I374-L376 VanDerWaalsContact C-N 3.28Å; I374-L376 PolarHBondContact O-N 2.94Å; I374-A377 WeakPolarHBondContact O-CB 3.25Å; I374-A377 PolarHBondContact O-N 3.3Å; I374-A377 VanDerWaalsContact O-N 3.1Å; I374-G378 PolarHBondContact O-N 3.34Å
375	V	71.8	Confident	76.5	Confident	10 Å²	10	43.9 Å²	43.9	6%	0.061	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-41.7	176.4	169.6	0	0	0	0	110.1	L244 R248 L371 R373 G378	L244-V375 HydrophobicContact CB-CG1 4.23Å; L244-V375 HydrophobicContact CD1-CG1 3.43Å; L244-V375 VanDerWaalsContact CD1-CG1 3.43Å; L244-V375 HydrophobicContact CG-CG1 4.48Å; R248-V375 PolarHBondContact NH1-O 3.16Å; R248-V375 VanDerWaalsContact NH2-CG1 3.3Å; R248-V375 PolarHBondContact NH2-O 2.95Å; L371-V375 HydrophobicContact CD1-CG2 4.46Å; L371-V375 HydrophobicContact CG-CG2 4.15Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 3.49Å; R373-V375 VanDerWaalsContact C-N 3.32Å; R373-V375 PolarHBondContact O-N 3.3Å; V375-G378 PolarHBondContact O-N 3.47Å
376	L	70.9	Confident	76.6	Confident	92 Å²	92	41.1 Å²	41.1	48%	0.482	20%	0.199	S	C	.	.	H	α-helix	trans	-67.6	-34.5	174.3	-71.4	167.7	0	0	0	112.8	G372 R373 I374 G378 R379	G372-L376 WeakPolarHBondContact O-CB 3.43Å; G372-L376 WeakPolarHBondContact O-CG 3.45Å; G372-L376 PolarHBondContact O-N 3.37Å; R373-L376 CarbonylContact O-C 3.55Å; R373-L376 PolarHBondContact O-N 3.41Å; I374-L376 VanDerWaalsContact C-N 3.28Å; I374-L376 PolarHBondContact O-N 2.94Å; L376-G378 PolarHBondContact O-N 3.23Å; L376-R379 VanDerWaalsContact O-CB 3.26Å; L376-R379 WeakPolarHBondContact O-CB 3.44Å; L376-R379 PolarHBondContact O-N 3.47Å
377	A	78.6	Confident	76.9	Confident	4 Å²	4	37.5 Å²	37.5	3%	0.033	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-26.9	175.8	0	0	0	0	0	112.4	L203 R373 I374 R379 E380 M381	L203-A377 HydrophobicContact CD1-CB 4.06Å; R373-A377 PolarHBondContact O-N 2.9Å; I374-A377 WeakPolarHBondContact O-CB 3.25Å; I374-A377 PolarHBondContact O-N 3.3Å; I374-A377 VanDerWaalsContact O-N 3.1Å; A377-R379 PolarHBondContact O-N 3.49Å; A377-E380 WeakPolarHBondContact O-CB 3.39Å; A377-E380 PolarHBondContact O-N 2.9Å; A377-E380 VanDerWaalsContact O-N 3.09Å; A377-M381 WeakPolarHBondContact O-CB 3.32Å; A377-M381 PolarHBondContact O-N 2.83Å
378	G	72.3	Confident	77.4	Confident	26 Å²	26	37.4 Å²	37.4	27%	0.268	19%	0.185	S	C	.	.	H	α-helix	trans	-58.7	-30.2	170.9	0	0	0	0	0	114.2	I374 V375 L376 T382	I374-G378 PolarHBondContact O-N 3.34Å; V375-G378 PolarHBondContact O-N 3.47Å; L376-G378 PolarHBondContact O-N 3.23Å; G378-T382 PolarHBondContact O-N 3.43Å; G378-T382 VanDerWaalsContact O-N 3.09Å; G378-T382 PolarHBondContact O-OG1 2.79Å
379	R	70.4	Confident	77.7	Confident	109 Å²	109	37.9 Å²	37.9	41%	0.411	19%	0.19	S	C	.	.	H	α-helix	trans	-69.7	-44.9	172.7	179.6	-175.5	170.6	-170.3	-5.6	111.1	L376 A377 M381 T382 R383	L376-R379 VanDerWaalsContact O-CB 3.26Å; L376-R379 WeakPolarHBondContact O-CB 3.44Å; L376-R379 PolarHBondContact O-N 3.47Å; A377-R379 PolarHBondContact O-N 3.49Å; R379-M381 VanDerWaalsContact C-N 3.27Å; R379-M381 PolarHBondContact O-N 3.28Å; R379-T382 PolarHBondContact O-N 2.9Å; R379-R383 PolarHBondContact O-N 3.23Å; R379-R383 VanDerWaalsContact O-N 3.08Å
380	E	75.9	Confident	78	Confident	46 Å²	46	37.3 Å²	37.3	22%	0.215	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-39.7	176.6	-61.6	-175.2	153	0	0	110.8	L203 N206 A377 T382 R383 L384	L203-E380 HydrophobicContact CD1-CB 4.48Å; N206-E380 PolarHBondContact ND2-OE1 2.76Å; N206-E380 PolarHBondContact ND2-OE2 2.96Å; A377-E380 WeakPolarHBondContact O-CB 3.39Å; A377-E380 PolarHBondContact O-N 2.9Å; A377-E380 VanDerWaalsContact O-N 3.09Å; E380-T382 PolarHBondContact O-N 3.14Å; E380-R383 WeakPolarHBondContact O-CB 3.2Å; E380-R383 PolarHBondContact O-N 3.4Å; E380-L384 VanDerWaalsContact O-CB 3.31Å; E380-L384 WeakPolarHBondContact O-CB 3.38Å; E380-L384 PolarHBondContact O-N 3.2Å
381	M	79.2	Confident	78.5	Confident	35 Å²	35	37.1 Å²	37.1	17%	0.172	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-41.1	174.3	-170.7	61.6	139.1	0	0	112.7	V59 F63 F64 L203 A377 R379 L384 S385	V59-M381 HydrophobicContact CG1-CE 4.41Å; V59-M381 HydrophobicContact CG1-CG 4.01Å; V59-M381 HydrophobicContact CG2-CG 4.17Å; F63-M381 HydrophobicContact CE1-CE 3.49Å; F63-M381 VanDerWaalsContact CE1-CE 3.49Å; F63-M381 HydrophobicContact CE1-CG 4.49Å; F63-M381 HydrophobicContact CE1-SD 3.62Å; F63-M381 HydrophobicContact CZ-CE 4.06Å; F63-M381 HydrophobicContact CZ-SD 3.58Å; F63-M381 VanDerWaalsContact CZ-SD 3.58Å; F64-M381 HydrophobicContact CE1-CE 3.48Å; F64-M381 VanDerWaalsContact CE1-CE 3.48Å; F64-M381 HydrophobicContact CZ-CE 3.53Å; L203-M381 HydrophobicContact CD1-CB 4.46Å; L203-M381 HydrophobicContact CD2-CE 4.34Å; L203-M381 HydrophobicContact CD2-SD 3.49Å; L203-M381 WeakPolarHBondContact CD2-SD 3.48Å; A377-M381 WeakPolarHBondContact O-CB 3.32Å; A377-M381 PolarHBondContact O-N 2.83Å; R379-M381 VanDerWaalsContact C-N 3.27Å; R379-M381 PolarHBondContact O-N 3.28Å; M381-L384 WeakPolarHBondContact O-CB 3.48Å; M381-L384 PolarHBondContact O-N 3.45Å; M381-L384 HydrophobicContact SD-CD2 4.22Å; M381-S385 PolarHBondContact O-N 3.28Å
382	T	74	Confident	79.3	Confident	37 Å²	37	37.2 Å²	37.2	23%	0.227	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-42.5	176.3	-56.2	0	0	0	0	111.3	G378 R379 E380 S385 G386	G378-T382 PolarHBondContact O-N 3.43Å; G378-T382 VanDerWaalsContact O-N 3.09Å; G378-T382 PolarHBondContact O-OG1 2.79Å; R379-T382 PolarHBondContact O-N 2.9Å; E380-T382 PolarHBondContact O-N 3.14Å; T382-S385 WeakPolarHBondContact O-CB 3.49Å; T382-S385 PolarHBondContact O-N 2.95Å; T382-G386 PolarHBondContact O-N 3.1Å
383	R	76.1	Confident	80	Confident	105 Å²	105	41.1 Å²	41.1	40%	0.396	20%	0.199	S	C	.	.	H	α-helix	trans	-63	-44.7	174.8	-176.6	-176.9	65.8	-170	-4.3	111	S199 R379 E380 S385 G386 F387	S199-R383 PolarHBondContact OG-NE 2.67Å; S199-R383 PolarHBondContact OG-NH2 3.39Å; R379-R383 PolarHBondContact O-N 3.23Å; R379-R383 VanDerWaalsContact O-N 3.08Å; E380-R383 WeakPolarHBondContact O-CB 3.2Å; E380-R383 PolarHBondContact O-N 3.4Å; R383-S385 VanDerWaalsContact C-N 3.28Å; R383-S385 PolarHBondContact O-N 3.34Å; R383-G386 PolarHBondContact O-N 3.45Å; R383-G386 VanDerWaalsContact O-N 3.09Å; R383-F387 HydrophobicContact CG-CD2 4.19Å; R383-F387 HydrophobicContact CG-CE2 3.55Å; R383-F387 HydrophobicContact CG-CZ 4.22Å; R383-F387 WeakPolarHBondContact O-CD2 3.33Å; R383-F387 PolarHBondContact O-N 3.45Å
384	L	84.3	Confident	80.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-39	176.9	-179.5	60.5	0	0	0	111.7	F63 I67 F196 V200 L203 E380 M381 G386 F387 T388	F63-L384 HydrophobicContact CE2-CG 4.37Å; F63-L384 HydrophobicContact CZ-CD2 4.34Å; F63-L384 HydrophobicContact CZ-CG 4.3Å; I67-L384 HydrophobicContact CD1-CD1 4.49Å; I67-L384 HydrophobicContact CD1-CD2 3.59Å; I67-L384 HydrophobicContact CD1-CG 4.1Å; F196-L384 HydrophobicContact CD2-CD1 3.49Å; F196-L384 VanDerWaalsContact CD2-CD1 3.49Å; F196-L384 HydrophobicContact CE2-CD1 3.57Å; F196-L384 HydrophobicContact CG-CD1 4.43Å; V200-L384 HydrophobicContact CG2-CD1 3.61Å; V200-L384 HydrophobicContact CG2-CD2 4.3Å; L203-L384 HydrophobicContact CD2-CD2 3.57Å; E380-L384 VanDerWaalsContact O-CB 3.31Å; E380-L384 WeakPolarHBondContact O-CB 3.38Å; E380-L384 PolarHBondContact O-N 3.2Å; M381-L384 WeakPolarHBondContact O-CB 3.48Å; M381-L384 PolarHBondContact O-N 3.45Å; M381-L384 HydrophobicContact SD-CD2 4.22Å; L384-G386 VanDerWaalsContact C-N 3.28Å; L384-G386 PolarHBondContact O-N 3.33Å; L384-F387 PolarHBondContact O-N 2.99Å; L384-T388 VanDerWaalsContact O-CB 3.3Å; L384-T388 WeakPolarHBondContact O-CB 3.43Å; L384-T388 PolarHBondContact O-N 2.86Å; L384-T388 PolarHBondContact O-OG1 3.28Å
385	S	80.3	Confident	81.2	Confident	7 Å²	7	34.8 Å²	34.8	5%	0.049	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-36.5	174.3	-177.3	0	0	0	0	113.3	A58 F63 M381 T382 R383 A389	A58-S385 PolarHBondContact O-OG 2.84Å; F63-S385 VanDerWaalsContact CE2-CA 3.41Å; M381-S385 PolarHBondContact O-N 3.28Å; T382-S385 WeakPolarHBondContact O-CB 3.49Å; T382-S385 PolarHBondContact O-N 2.95Å; R383-S385 VanDerWaalsContact C-N 3.28Å; R383-S385 PolarHBondContact O-N 3.34Å; S385-A389 WeakPolarHBondContact O-CB 3.39Å; S385-A389 PolarHBondContact O-N 2.89Å; S385-A389 VanDerWaalsContact O-N 3.07Å
386	G	79.3	Confident	82.1	Confident	17 Å²	17	37 Å²	37	18%	0.175	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-52	174.5	0	0	0	0	0	112	T382 R383 L384 T388 A389 R390	T382-G386 PolarHBondContact O-N 3.1Å; R383-G386 PolarHBondContact O-N 3.45Å; R383-G386 VanDerWaalsContact O-N 3.09Å; L384-G386 VanDerWaalsContact C-N 3.28Å; L384-G386 PolarHBondContact O-N 3.33Å; G386-T388 PolarHBondContact O-N 3.27Å; G386-A389 PolarHBondContact O-N 3.45Å; G386-R390 PolarHBondContact O-N 3.17Å
387	F	85.1	Confident	83	Confident	19 Å²	19	32.8 Å²	32.8	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-39.2	178.3	-61.8	-51.8	0	0	0	112.6	D192 K195 F196 R383 L384 A389 R390 I391	D192-F387 HydrophobicContact CB-CD1 4.08Å; D192-F387 HydrophobicContact CB-CE1 4.45Å; K195-F387 HydrophobicContact CB-CD2 4.27Å; K195-F387 HydrophobicContact CB-CE1 4.11Å; K195-F387 HydrophobicContact CB-CE2 3.67Å; K195-F387 HydrophobicContact CB-CZ 3.61Å; K195-F387 HydrophobicContact CD-CE1 4Å; K195-F387 HydrophobicContact CD-CE2 4.45Å; K195-F387 HydrophobicContact CD-CZ 3.61Å; K195-F387 HydrophobicContact CG-CZ 4.23Å; F196-F387 HydrophobicContact CB-CB 3.99Å; F196-F387 HydrophobicContact CD2-CB 4.01Å; F196-F387 HydrophobicContact CG-CB 4.48Å; R383-F387 HydrophobicContact CG-CD2 4.19Å; R383-F387 HydrophobicContact CG-CE2 3.55Å; R383-F387 HydrophobicContact CG-CZ 4.22Å; R383-F387 WeakPolarHBondContact O-CD2 3.33Å; R383-F387 PolarHBondContact O-N 3.45Å; L384-F387 PolarHBondContact O-N 2.99Å; F387-A389 VanDerWaalsContact C-N 3.31Å; F387-A389 PolarHBondContact O-N 3.01Å; F387-R390 PolarHBondContact O-N 3.24Å; F387-I391 WeakPolarHBondContact O-CB 3.49Å; F387-I391 WeakPolarHBondContact O-CG1 3.44Å; F387-I391 PolarHBondContact O-N 3.46Å
388	T	88.4	Confident	83.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-43	176.8	-57.2	0	0	0	0	111	F63 R66 I67 I70 F196 L384 G386 T392	F63-T388 HydrophobicContact CD2-CG2 4Å; F63-T388 HydrophobicContact CE2-CG2 4.08Å; F63-T388 WeakPolarHBondContact CE2-OG1 3.45Å; R66-T388 HydrophobicContact CB-CG2 3.73Å; I67-T388 HydrophobicContact CB-CG2 4.17Å; I70-T388 HydrophobicContact CD1-CG2 4.12Å; F196-T388 WeakPolarHBondContact CE2-OG1 3.34Å; L384-T388 VanDerWaalsContact O-CB 3.3Å; L384-T388 WeakPolarHBondContact O-CB 3.43Å; L384-T388 PolarHBondContact O-N 2.86Å; L384-T388 PolarHBondContact O-OG1 3.28Å; G386-T388 PolarHBondContact O-N 3.27Å; T388-T392 VanDerWaalsContact O-CB 3.26Å; T388-T392 WeakPolarHBondContact O-CB 3.16Å; T388-T392 PolarHBondContact O-N 2.89Å; T388-T392 PolarHBondContact O-OG1 2.88Å
389	A	83.4	Confident	84.4	Confident	19 Å²	19	38 Å²	38	16%	0.157	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-50.7	177.1	0	0	0	0	0	111.3	T57 S385 G386 F387 I391 T392 E393	T57-A389 HydrophobicContact CG2-CB 4.35Å; S385-A389 WeakPolarHBondContact O-CB 3.39Å; S385-A389 PolarHBondContact O-N 2.89Å; S385-A389 VanDerWaalsContact O-N 3.07Å; G386-A389 PolarHBondContact O-N 3.45Å; F387-A389 VanDerWaalsContact C-N 3.31Å; F387-A389 PolarHBondContact O-N 3.01Å; A389-I391 PolarHBondContact O-N 3.47Å; A389-T392 PolarHBondContact O-N 2.98Å; A389-E393 WeakPolarHBondContact O-CB 2.97Å; A389-E393 PolarHBondContact O-N 3.11Å
390	R	84.6	Confident	85.3	Confident	71 Å²	71	35.4 Å²	35.4	27%	0.268	17%	0.172	S	C	.	.	H	α-helix	trans	-62.2	-43.2	-179.9	-64.9	-175.2	81.6	-179.4	9	113	L188 D192 G386 F387 E393 L394	L188-R390 HydrophobicContact CD2-CB 4.07Å; D192-R390 IonicContact OD1-NH1 2.68Å; D192-R390 WeakPolarHBondContact OD2-CD 3.48Å; D192-R390 IonicContact OD2-CZ 3.38Å; D192-R390 IonicContact OD2-NE 3.78Å; D192-R390 PolarHBondContact OD2-NE 3.43Å; D192-R390 IonicContact OD2-NH1 3.21Å; D192-R390 PolarHBondContact OD2-NH1 3.34Å; G386-R390 PolarHBondContact O-N 3.17Å; F387-R390 PolarHBondContact O-N 3.24Å; R390-E393 PolarHBondContact O-N 3.36Å; R390-L394 WeakPolarHBondContact O-CB 3.48Å; R390-L394 PolarHBondContact O-N 3.48Å
391	I	90.2	Very high	85.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.6	-38.8	178.4	-67.4	169.2	0	0	0	110.8	I70 V193 F196 F387 A389 L394 M395	I70-I391 HydrophobicContact CD1-CB 4.35Å; I70-I391 HydrophobicContact CD1-CG2 3.96Å; V193-I391 HydrophobicContact CG2-CD1 4.38Å; F196-I391 HydrophobicContact CB-CD1 3.43Å; F196-I391 VanDerWaalsContact CB-CD1 3.43Å; F196-I391 HydrophobicContact CD1-CD1 3.85Å; F196-I391 HydrophobicContact CD2-CD1 3.87Å; F196-I391 HydrophobicContact CG-CD1 3.43Å; F196-I391 VanDerWaalsContact CG-CD1 3.43Å; F387-I391 WeakPolarHBondContact O-CB 3.49Å; F387-I391 WeakPolarHBondContact O-CG1 3.44Å; F387-I391 PolarHBondContact O-N 3.46Å; A389-I391 PolarHBondContact O-N 3.47Å; I391-L394 PolarHBondContact O-N 2.96Å; I391-M395 HydrophobicContact CG2-CG 4.44Å; I391-M395 HydrophobicContact CG2-SD 4.12Å; I391-M395 VanDerWaalsContact O-CG 3.29Å; I391-M395 WeakPolarHBondContact O-CG 3.32Å; I391-M395 PolarHBondContact O-N 3.44Å
392	T	90.3	Very high	86.2	Confident	11 Å²	11	33.8 Å²	33.8	7%	0.067	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-42.4	176.3	-56.9	0	0	0	0	111.4	R66 T388 A389 M395 T396	R66-T392 HydrophobicContact CG-CG2 3.96Å; T388-T392 VanDerWaalsContact O-CB 3.26Å; T388-T392 WeakPolarHBondContact O-CB 3.16Å; T388-T392 PolarHBondContact O-N 2.89Å; T388-T392 PolarHBondContact O-OG1 2.88Å; A389-T392 PolarHBondContact O-N 2.98Å; T392-M395 PolarHBondContact O-N 3.49Å; T392-T396 WeakPolarHBondContact O-CB 3.45Å; T392-T396 PolarHBondContact O-N 3.41Å; T392-T396 PolarHBondContact O-OG1 3.09Å
393	E	88	Confident	86.7	Confident	96 Å²	96	36.5 Å²	36.5	45%	0.449	18%	0.182	S	C	.	.	H	α-helix	trans	-58.5	-50	174	-176.3	173.2	-158.4	0	0	110.1	I182 A389 R390 M395 T396 V397	I182-E393 HydrophobicContact CD1-CG 4.47Å; I182-E393 HydrophobicContact CG1-CG 4.36Å; A389-E393 WeakPolarHBondContact O-CB 2.97Å; A389-E393 PolarHBondContact O-N 3.11Å; R390-E393 PolarHBondContact O-N 3.36Å; E393-M395 PolarHBondContact O-N 3.38Å; E393-T396 WeakPolarHBondContact O-CB 3.5Å; E393-T396 PolarHBondContact O-N 3.04Å; E393-V397 WeakPolarHBondContact O-CG2 3.35Å; E393-V397 PolarHBondContact O-N 3.45Å
394	L	90.6	Very high	86.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-52.9	-52.7	173.4	-178.9	65.1	0	0	0	113	L162 M175 I182 L188 L189 R390 I391 T396 V397 L398	L162-L394 HydrophobicContact CD2-CD2 4.38Å; M175-L394 HydrophobicContact CE-CD1 3.9Å; M175-L394 HydrophobicContact SD-CD1 3.8Å; I182-L394 HydrophobicContact CD1-CB 4.02Å; I182-L394 HydrophobicContact CD1-CD1 3.72Å; I182-L394 HydrophobicContact CD1-CG 4.48Å; L188-L394 HydrophobicContact CB-CD2 4.17Å; L188-L394 HydrophobicContact CD2-CB 4.2Å; L188-L394 HydrophobicContact CD2-CD2 4.47Å; L189-L394 HydrophobicContact CD2-CD2 3.79Å; L189-L394 HydrophobicContact CG-CD2 4.17Å; R390-L394 WeakPolarHBondContact O-CB 3.48Å; R390-L394 PolarHBondContact O-N 3.48Å; I391-L394 PolarHBondContact O-N 2.96Å; L394-T396 PolarHBondContact O-N 3.48Å; L394-V397 PolarHBondContact O-N 2.72Å; L394-L398 HydrophobicContact CD1-CD1 4.03Å; L394-L398 HydrophobicContact CD1-CD2 4.42Å; L394-L398 HydrophobicContact CD1-CG 4Å; L394-L398 HydrophobicContact CG-CD1 3.9Å; L394-L398 HydrophobicContact CG-CG 4.27Å; L394-L398 WeakPolarHBondContact O-CB 3.33Å; L394-L398 WeakPolarHBondContact O-CG 3.49Å; L394-L398 PolarHBondContact O-N 3.09Å
395	M	91.4	Very high	86.4	Confident	27 Å²	27	40.6 Å²	40.6	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-33.2	178.7	-71.2	173.6	60.9	0	0	113.1	I70 I73 L162 I391 T392 E393 K399	I70-M395 HydrophobicContact CG1-SD 4.11Å; I73-M395 HydrophobicContact CD1-CE 3.26Å; I73-M395 HydrophobicContact CD1-SD 4.23Å; L162-M395 HydrophobicContact CD2-CG 3.64Å; I391-M395 HydrophobicContact CG2-CG 4.44Å; I391-M395 HydrophobicContact CG2-SD 4.12Å; I391-M395 VanDerWaalsContact O-CG 3.29Å; I391-M395 WeakPolarHBondContact O-CG 3.32Å; I391-M395 PolarHBondContact O-N 3.44Å; T392-M395 PolarHBondContact O-N 3.49Å; E393-M395 PolarHBondContact O-N 3.38Å; M395-K399 VanDerWaalsContact O-CB 3.31Å; M395-K399 WeakPolarHBondContact O-CB 3.26Å; M395-K399 PolarHBondContact O-N 3.38Å; M395-K399 VanDerWaalsContact O-N 3.14Å
396	T	91.1	Very high	86.1	Confident	56 Å²	56	41.9 Å²	41.9	34%	0.344	22%	0.22	S	C	.	.	H	α-helix	trans	-72.4	-48.7	179.4	-54.4	0	0	0	0	110.1	T392 E393 L394 K399 E400	T392-T396 WeakPolarHBondContact O-CB 3.45Å; T392-T396 PolarHBondContact O-N 3.41Å; T392-T396 PolarHBondContact O-OG1 3.09Å; E393-T396 WeakPolarHBondContact O-CB 3.5Å; E393-T396 PolarHBondContact O-N 3.04Å; L394-T396 PolarHBondContact O-N 3.48Å; T396-K399 PolarHBondContact O-N 3.02Å; T396-E400 WeakPolarHBondContact O-CG 3.46Å; T396-E400 PolarHBondContact O-N 3.43Å
397	V	89.1	Confident	85.5	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-48.2	176.2	174.3	0	0	0	0	110.8	M175 R181 I182 E393 L394 K399 E400 L401	M175-V397 HydrophobicContact CG-CG1 4.42Å; R181-V397 HydrophobicContact CB-CG2 4.36Å; I182-V397 HydrophobicContact CD1-CB 3.65Å; I182-V397 HydrophobicContact CD1-CG1 4Å; I182-V397 HydrophobicContact CD1-CG2 3.65Å; I182-V397 HydrophobicContact CG1-CB 4.45Å; I182-V397 HydrophobicContact CG1-CG2 4.05Å; E393-V397 WeakPolarHBondContact O-CG2 3.35Å; E393-V397 PolarHBondContact O-N 3.45Å; L394-V397 PolarHBondContact O-N 2.72Å; V397-K399 VanDerWaalsContact C-N 3.29Å; V397-K399 PolarHBondContact O-N 3.01Å; V397-E400 PolarHBondContact O-N 3.11Å; V397-L401 HydrophobicContact CG1-CD1 3.76Å; V397-L401 HydrophobicContact CG1-CG 4.09Å; V397-L401 WeakPolarHBondContact O-CB 3.36Å; V397-L401 VanDerWaalsContact O-CG 3.25Å; V397-L401 WeakPolarHBondContact O-CG 3.21Å; V397-L401 PolarHBondContact O-N 2.99Å
398	L	91.3	Very high	84.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.4	-43.8	176.6	-70.6	177.3	0	0	0	111.9	L162 Q165 Y166 T171 M175 L394 N402	L162-L398 HydrophobicContact CD2-CD1 4.22Å; Q165-L398 HydrophobicContact CB-CB 4.34Å; Q165-L398 HydrophobicContact CB-CD1 4.2Å; Y166-L398 HydrophobicContact CD2-CD2 3.84Å; T171-L398 HydrophobicContact CG2-CD2 3.77Å; M175-L398 HydrophobicContact SD-CD2 3.62Å; M175-L398 HydrophobicContact SD-CG 4.38Å; L394-L398 HydrophobicContact CD1-CD1 4.03Å; L394-L398 HydrophobicContact CD1-CD2 4.42Å; L394-L398 HydrophobicContact CD1-CG 4Å; L394-L398 HydrophobicContact CG-CD1 3.9Å; L394-L398 HydrophobicContact CG-CG 4.27Å; L394-L398 WeakPolarHBondContact O-CB 3.33Å; L394-L398 WeakPolarHBondContact O-CG 3.49Å; L394-L398 PolarHBondContact O-N 3.09Å; L398-N402 WeakPolarHBondContact O-CB 3.38Å; L398-N402 PolarHBondContact O-N 3.04Å; L398-N402 PolarHBondContact O-OD1 3.35Å
399	K	90.7	Very high	82.5	Confident	141 Å²	141	52.9 Å²	52.9	61%	0.613	27%	0.271	S	S	*	.	H	α-helix	trans	-65.3	-43.9	178.2	-171.6	179.6	-180	-174.4	0	111.7	M395 T396 V397 N402 T403	M395-K399 VanDerWaalsContact O-CB 3.31Å; M395-K399 WeakPolarHBondContact O-CB 3.26Å; M395-K399 PolarHBondContact O-N 3.38Å; M395-K399 VanDerWaalsContact O-N 3.14Å; T396-K399 PolarHBondContact O-N 3.02Å; V397-K399 VanDerWaalsContact C-N 3.29Å; V397-K399 PolarHBondContact O-N 3.01Å; K399-N402 PolarHBondContact O-N 3.22Å; K399-T403 WeakPolarHBondContact O-CG2 3.15Å; K399-T403 PolarHBondContact O-N 3.29Å; K399-T403 VanDerWaalsContact O-N 3.08Å; K399-T403 PolarHBondContact O-OG1 3Å
400	E	88.5	Confident	80.6	Confident	53 Å²	53	56.2 Å²	56.2	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-46.2	177.9	-74.6	173.6	-175.2	0	0	111.6	R181 T396 V397 N402 T403 G404 K405	R181-E400 IonicContact CZ-OE2 3.56Å; R181-E400 IonicContact NH1-OE2 3.75Å; R181-E400 PolarHBondContact NH1-OE2 3.39Å; R181-E400 IonicContact NH2-OE2 3.48Å; R181-E400 PolarHBondContact NH2-OE2 3.29Å; T396-E400 WeakPolarHBondContact O-CG 3.46Å; T396-E400 PolarHBondContact O-N 3.43Å; V397-E400 PolarHBondContact O-N 3.11Å; E400-N402 VanDerWaalsContact C-N 3.34Å; E400-N402 PolarHBondContact O-N 3.15Å; E400-T403 WeakPolarHBondContact CA-OG1 3.15Å; E400-T403 CarbonylContact O-C 3.06Å; E400-T403 WeakPolarHBondContact O-CA 3.09Å; E400-T403 PolarHBondContact O-N 2.84Å; E400-T403 PolarHBondContact O-OG1 3.36Å; E400-G404 PolarHBondContact O-N 2.88Å; E400-G404 VanDerWaalsContact O-N 3.11Å; E400-K405 CarbonylContact C-O 3.55Å; E400-K405 HydrophobicContact CB-CB 4.24Å; E400-K405 PolarHBondContact O-N 3.42Å; E400-K405 VanDerWaalsContact O-O 3.07Å
401	L	87	Confident	78.5	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-40.1	177.3	-68.2	179.3	0	0	0	112.2	T171 K174 M175 D179 V397 T403 G404 K405 Y406	T171-L401 HydrophobicContact CG2-CB 3.91Å; T171-L401 HydrophobicContact CG2-CD1 4.16Å; K174-L401 HydrophobicContact CB-CD1 4.41Å; K174-L401 HydrophobicContact CB-CD2 4.17Å; M175-L401 HydrophobicContact CB-CD1 3.62Å; M175-L401 HydrophobicContact CG-CD1 3.96Å; D179-L401 HydrophobicContact CB-CD2 4.19Å; V397-L401 HydrophobicContact CG1-CD1 3.76Å; V397-L401 HydrophobicContact CG1-CG 4.09Å; V397-L401 WeakPolarHBondContact O-CB 3.36Å; V397-L401 VanDerWaalsContact O-CG 3.25Å; V397-L401 WeakPolarHBondContact O-CG 3.21Å; V397-L401 PolarHBondContact O-N 2.99Å; L401-T403 PolarHBondContact O-N 3.48Å; L401-G404 PolarHBondContact O-N 3.03Å; L401-K405 PolarHBondContact N-O 3.42Å; L401-Y406 VanDerWaalsContact CD2-CB 3.49Å
402	N	86.9	Confident	75.8	Confident	46 Å²	46	60.3 Å²	60.3	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-64.8	-29.5	174.1	-70.1	-4	0	0	0	111.9	Q165 Q168 T171 L398 K399 E400 G404	Q165-N402 PolarHBondContact O-ND2 3.3Å; Q165-N402 VanDerWaalsContact O-ND2 3.12Å; Q165-N402 PolarHBondContact O-OD1 3.23Å; Q168-N402 PolarHBondContact OE1-ND2 3.42Å; T171-N402 VanDerWaalsContact CB-OD1 3.29Å; T171-N402 WeakPolarHBondContact CB-OD1 3.41Å; T171-N402 WeakPolarHBondContact CG2-OD1 3.45Å; T171-N402 PolarHBondContact OG1-OD1 2.95Å; L398-N402 WeakPolarHBondContact O-CB 3.38Å; L398-N402 PolarHBondContact O-N 3.04Å; L398-N402 PolarHBondContact O-OD1 3.35Å; K399-N402 PolarHBondContact O-N 3.22Å; E400-N402 VanDerWaalsContact C-N 3.34Å; E400-N402 PolarHBondContact O-N 3.15Å; N402-G404 VanDerWaalsContact C-N 3.3Å
403	T	84.8	Confident	73.4	Confident	94 Å²	94	65.3 Å²	65.3	58%	0.577	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	1.3	172.2	60.7	0	0	0	0	114.2	K399 E400 L401	K399-T403 WeakPolarHBondContact O-CG2 3.15Å; K399-T403 PolarHBondContact O-N 3.29Å; K399-T403 VanDerWaalsContact O-N 3.08Å; K399-T403 PolarHBondContact O-OG1 3Å; E400-T403 WeakPolarHBondContact CA-OG1 3.15Å; E400-T403 CarbonylContact O-C 3.06Å; E400-T403 WeakPolarHBondContact O-CA 3.09Å; E400-T403 PolarHBondContact O-N 2.84Å; E400-T403 PolarHBondContact O-OG1 3.36Å; L401-T403 PolarHBondContact O-N 3.48Å
404	G	75.8	Confident	70.8	Confident	45 Å²	45	68.1 Å²	68.1	46%	0.464	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	5.5	-179.2	0	0	0	0	0	115	E400 L401 N402	E400-G404 PolarHBondContact O-N 2.88Å; E400-G404 VanDerWaalsContact O-N 3.11Å; L401-G404 PolarHBondContact O-N 3.03Å; N402-G404 VanDerWaalsContact C-N 3.3Å
405	K	77.3	Confident	68.2	Low	147 Å²	147	77 Å²	77	64%	0.639	40%	0.4	S	S	*	.			trans	-92.4	122.2	174.7	-64	-175.9	-179.2	-174.9	0	109.4	E400 L401	E400-K405 CarbonylContact C-O 3.55Å; E400-K405 HydrophobicContact CB-CB 4.24Å; E400-K405 PolarHBondContact O-N 3.42Å; E400-K405 VanDerWaalsContact O-O 3.07Å; L401-K405 PolarHBondContact N-O 3.42Å
406	Y	75.2	Confident	65.5	Low	34 Å²	34	85.5 Å²	85.5	13%	0.133	43%	0.431	C	S	.	.			trans	-131	141.1	173.7	62	-84.4	0	0	0	109.1	L178 L401 P428 P491	L178-Y406 HydrophobicContact CB-CD2 4.2Å; L178-Y406 HydrophobicContact CB-CG 4.48Å; L401-Y406 VanDerWaalsContact CD2-CB 3.49Å; Y406-P428 HydrophobicContact CE1-CB 3.56Å; Y406-P428 HydrophobicContact CE1-CG 4.14Å; Y406-P428 HydrophobicContact CE2-CG 4.32Å; Y406-P428 WeakPolarHBondContact OH-CB 3.13Å; Y406-P428 WeakPolarHBondContact OH-CG 3.25Å; Y406-P491 HydrophobicContact CE1-CB 4.34Å; Y406-P491 HydrophobicContact CE1-CG 3.62Å; Y406-P491 WeakPolarHBondContact OH-CG 3.17Å
407	E	66.1	Low	62.8	Low	114 Å²	114	91.7 Å²	91.7	53%	0.533	46%	0.455	S	S	.	.			trans	-108.1	91.4	177	-67.5	-177.9	162.3	0	0	107.6	D179 R181	D179-E407 PolarHBondContact OD2-N 3.26Å; R181-E407 VanDerWaalsContact CD-OE2 3.27Å; R181-E407 WeakPolarHBondContact CD-OE2 3.43Å; R181-E407 IonicContact CZ-OE2 3.52Å; R181-E407 IonicContact NE-OE2 3.38Å; R181-E407 VanDerWaalsContact NH1-CD 3.28Å; R181-E407 IonicContact NH1-OE1 3.82Å; R181-E407 IonicContact NH1-OE2 3.64Å; R181-E407 PolarHBondContact NH1-OE2 3.31Å
408	R	63.8	Low	60.1	Low	54 Å²	54	97.4 Å²	97.4	20%	0.204	49%	0.491	C	S	.	.			trans	-82.2	127.6	160.2	-149.3	177.4	-173.9	127.2	3.5	106.5	N177 L178 M410 P450 N451	N177-R408 PolarHBondContact O-NH1 3.43Å; N177-R408 PolarHBondContact O-NH2 3.09Å; L178-R408 WeakPolarHBondContact O-CB 3.5Å; L178-R408 WeakPolarHBondContact O-CG 3.49Å; R408-M410 PolarHBondContact O-N 3.3Å; R408-P450 VanDerWaalsContact CD-O 3.26Å; R408-P450 WeakPolarHBondContact CD-O 3.38Å; R408-N451 PolarHBondContact NE-OD1 3.15Å; R408-N451 PolarHBondContact NH2-OD1 2.95Å; R408-N451 VanDerWaalsContact NH2-OD1 3.16Å
409	T	47.2	Very low	57.5	Low	98 Å²	98	106 Å²	106	60%	0.601	53%	0.531	S	S	*	.			trans	-61.5	88.2	157.7	-51	0	0	0	0	105.2	V411	T409-V411 PolarHBondContact O-N 3.26Å; T409-V411 VanDerWaalsContact O-N 3.09Å
410	M	43.5	Very low	54.8	Low	89 Å²	89	106.9 Å²	106.9	44%	0.438	55%	0.548	S	S	.	.			trans	-45.5	124.8	165.9	-63.4	-73.5	-85.8	0	0	104	R408 S412	R408-M410 PolarHBondContact O-N 3.3Å; M410-S412 VanDerWaalsContact C-N 3.31Å; M410-S412 PolarHBondContact O-N 3.45Å
411	V	39.8	Very low	52.4	Low	111 Å²	111	107 Å²	107	67%	0.673	56%	0.558	S	S	*	*			trans	-50.9	112.9	170.4	175.2	0	0	0	0	103.7	T409 L413	T409-V411 PolarHBondContact O-N 3.26Å; T409-V411 VanDerWaalsContact O-N 3.09Å; V411-L413 PolarHBondContact O-N 3.11Å
412	S	34.3	Very low	50.1	Low	46 Å²	46	115.6 Å²	115.6	32%	0.322	60%	0.598	S	S	.	*			trans	-49.2	111.8	175.7	44.5	0	0	0	0	104.8	K50 M410 Q414	K50-S412 PolarHBondContact NZ-OG 3.13Å; M410-S412 VanDerWaalsContact C-N 3.31Å; M410-S412 PolarHBondContact O-N 3.45Å; S412-Q414 PolarHBondContact O-N 2.96Å
413	L	38.4	Very low	48	Very low	116 Å²	116	121.7 Å²	121.7	61%	0.607	62%	0.622	S	S	*	*	S	Bend	trans	-65.6	53.8	174	-73	159	0	0	0	109	V411	V411-L413 PolarHBondContact O-N 3.11Å
414	Q	33.8	Very low	46.5	Very low	156 Å²	156	121.9 Å²	121.9	73%	0.729	62%	0.624	S	S	*	*			trans	-96.5	-1	174.2	-97.9	-178.5	-31.4	0	0	111.2	S412	S412-Q414 PolarHBondContact O-N 2.96Å
415	E	35.7	Very low	45.7	Very low	187 Å²	187	127 Å²	127	87%	0.874	64%	0.639	S	S	*	*	S	Bend	trans	-125.4	17.3	-178.8	-71.8	-175.5	169.1	0	0	114.8
416	R	35.2	Very low	45.2	Very low	205 Å²	205	121.5 Å²	121.5	77%	0.774	62%	0.616	S	S	*	*			trans	-132.3	73.6	165.7	-69.9	-170.6	179.5	-179.4	-0.1	110	T418	R416-T418 VanDerWaalsContact C-N 3.26Å
417	E	34	Very low	45.1	Very low	185 Å²	185	123.7 Å²	123.7	86%	0.864	63%	0.633	S	S	*	*			trans	-85.4	16.7	173.9	-82.8	-169.5	157.1	0	0	113.9
418	T	33.7	Very low	45.4	Very low	124 Å²	124	121.1 Å²	121.1	76%	0.761	63%	0.626	S	S	*	*			trans	-122.6	89.5	175.4	26.2	0	0	0	0	110.3	R416	R416-T418 VanDerWaalsContact C-N 3.26Å
419	E	36.2	Very low	45.9	Very low	181 Å²	181	121.1 Å²	121.1	85%	0.846	64%	0.643	S	S	*	*				154.9	130.4	126.1	-83	178.3	-178.8	0	0	110.9	A421	E419-A421 PolarHBondContact O-N 3.36Å
420	T	33.1	Very low	47.5	Very low	158 Å²	158	119.4 Å²	119.4	97%	0.969	64%	0.635	S	S	*	*			trans	-60.4	80.7	-179.8	29.2	0	0	0	0	112.7
421	A	37.7	Very low	49.4	Very low	55 Å²	55	115.9 Å²	115.9	46%	0.455	62%	0.621	S	S	.	*			trans	-116.4	126.6	158.4	0	0	0	0	0	108.9	E419 K423	E419-A421 PolarHBondContact O-N 3.36Å; A421-K423 PolarHBondContact O-N 3.34Å
422	E	39	Very low	51.8	Low	182 Å²	182	116.7 Å²	116.7	85%	0.85	62%	0.618	S	S	*	*			trans	-41	114.4	172.9	-68.7	173.6	146.9	0	0	110.4	T424	E422-T424 PolarHBondContact O-N 2.97Å
423	K	43.9	Very low	54.5	Low	174 Å²	174	118.1 Å²	118.1	76%	0.757	62%	0.621	S	S	*	*			trans	-73.1	90.2	-179.7	-78.8	178.6	176.9	173.1	0	109	A421 I425	A421-K423 PolarHBondContact O-N 3.34Å; K423-I425 PolarHBondContact O-N 3.31Å
424	T	53.2	Low	57.1	Low	99 Å²	99	116.1 Å²	116.1	61%	0.607	61%	0.61	S	S	*	*			trans	-59.4	118.7	166.3	-18.7	0	0	0	0	108.2	E422 L426	E422-T424 PolarHBondContact O-N 2.97Å; T424-L426 PolarHBondContact O-N 3.27Å
425	I	59.3	Low	59.9	Low	153 Å²	153	113 Å²	113	79%	0.785	60%	0.599	S	S	*	*			trans	-72.6	97	177.1	-58	173.1	0	0	0	107.3	K423 V427	K423-I425 PolarHBondContact O-N 3.31Å; I425-V427 HydrophobicContact CG2-CG2 4.05Å; I425-V427 PolarHBondContact O-N 2.88Å; I425-V427 VanDerWaalsContact O-N 3.14Å
426	L	66.4	Low	62.7	Low	31 Å²	31	111.9 Å²	111.9	16%	0.162	59%	0.586	C	S	.	*			trans	-75	100.1	177.8	-65.1	171.4	0	0	0	109.2	T424 P428 P446 A448 L454 F493	T424-L426 PolarHBondContact O-N 3.27Å; L426-P428 WeakPolarHBondContact O-CD 3.49Å; L426-P446 HydrophobicContact CD2-CB 4.44Å; L426-A448 HydrophobicContact CD1-CB 3.67Å; L426-L454 HydrophobicContact CD1-CD1 4.33Å; L426-L454 HydrophobicContact CD2-CD1 4.29Å; L426-F493 HydrophobicContact CB-CB 4.24Å; L426-F493 HydrophobicContact CB-CD1 3.62Å; L426-F493 HydrophobicContact CB-CE1 4.21Å; L426-F493 HydrophobicContact CB-CG 4.18Å; L426-F493 HydrophobicContact CD2-CB 3.73Å; L426-F493 HydrophobicContact CD2-CG 4.35Å
427	V	72	Confident	65.3	Low	80 Å²	80	105 Å²	105	49%	0.485	57%	0.565	S	S	.	*			trans	-91.8	118.6	173.8	-178.1	0	0	0	0	109	I425 G429 S430	I425-V427 HydrophobicContact CG2-CG2 4.05Å; I425-V427 PolarHBondContact O-N 2.88Å; I425-V427 VanDerWaalsContact O-N 3.14Å; V427-G429 PolarHBondContact O-N 3.42Å; V427-S430 WeakPolarHBondContact O-CB 3.48Å; V427-S430 PolarHBondContact O-N 3.44Å; V427-S430 PolarHBondContact O-OG 3.46Å
428	P	72.4	Confident	68.1	Low	59 Å²	59	100.6 Å²	100.6	38%	0.383	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	132.6	173.5	-29.1	35.8	0	0	0	113.7	Y406 L426 S430 P491 F493	Y406-P428 HydrophobicContact CE1-CB 3.56Å; Y406-P428 HydrophobicContact CE1-CG 4.14Å; Y406-P428 HydrophobicContact CE2-CG 4.32Å; Y406-P428 WeakPolarHBondContact OH-CB 3.13Å; Y406-P428 WeakPolarHBondContact OH-CG 3.25Å; L426-P428 WeakPolarHBondContact O-CD 3.49Å; P428-S430 VanDerWaalsContact C-N 3.32Å; P428-P491 HydrophobicContact CB-CG 4.33Å; P428-F493 HydrophobicContact CB-CE1 4.29Å; P428-F493 HydrophobicContact CG-CD1 4.41Å; P428-F493 HydrophobicContact CG-CE1 3.79Å
429	G	75.7	Confident	71	Confident	55 Å²	55	95.5 Å²	95.5	57%	0.567	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	16.1	176.4	0	0	0	0	0	114.5	V427 L492	V427-G429 PolarHBondContact O-N 3.42Å; G429-L492 VanDerWaalsContact CA-O 3.32Å; G429-L492 WeakPolarHBondContact CA-O 3.4Å; G429-L492 PolarHBondContact N-O 2.98Å
430	S	81.2	Confident	73.8	Confident	62 Å²	62	87 Å²	87	43%	0.434	48%	0.475	S	S	.	.			trans	-78.3	-20.2	176	52	0	0	0	0	113.8	V427 P428 L492 F493 G494	V427-S430 WeakPolarHBondContact O-CB 3.48Å; V427-S430 PolarHBondContact O-N 3.44Å; V427-S430 PolarHBondContact O-OG 3.46Å; P428-S430 VanDerWaalsContact C-N 3.32Å; S430-L492 PolarHBondContact N-O 3.18Å; S430-F493 PolarHBondContact OG-O 2.91Å; S430-G494 PolarHBondContact OG-N 3Å
431	G	83.2	Confident	76.8	Confident	14 Å²	14	82.1 Å²	82.1	14%	0.144	44%	0.441	C	S	.	.	S	Bend	trans	-83.5	161.1	173.8	0	0	0	0	0	113.5	G495	G431-G495 CarbonylContact C-O 3.52Å; G431-G495 WeakPolarHBondContact CA-O 3.43Å
432	Q	89.9	Confident	79.5	Confident	128 Å²	128	79.5 Å²	79.5	60%	0.598	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.4	-178.7	-59.1	-176.4	9.1	0	0	111.9	G495 N496 L497	Q432-G495 PolarHBondContact N-O 3.39Å; Q432-N496 WeakPolarHBondContact O-CA 3.3Å; Q432-L497 PolarHBondContact O-N 3.16Å
433	I	90.8	Very high	82.2	Confident	76 Å²	76	72.9 Å²	72.9	39%	0.39	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.8	172.9	-58.5	172.9	0	0	0	108.4	E488 L492 L497 K499	I433-E488 HydrophobicContact CD1-CG 4.11Å; I433-L492 HydrophobicContact CD1-CD1 4.39Å; I433-L492 HydrophobicContact CG1-CD1 3.55Å; I433-L492 HydrophobicContact CG1-CG 4.48Å; I433-L497 CarbonylContact C-O 3.6Å; I433-L497 WeakPolarHBondContact CA-O 3.41Å; I433-K499 HydrophobicContact CG2-CG 4.43Å
434	I	93.4	Very high	84.5	Confident	74 Å²	74	69.9 Å²	69.9	38%	0.379	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.9	178.6	-56.5	172.6	0	0	0	107.8	R436 N496 L497 T498 K499	I434-R436 PolarHBondContact O-N 3.26Å; I434-N496 HydrophobicContact CD1-CB 4.31Å; I434-L497 PolarHBondContact N-O 2.95Å; I434-T498 HydrophobicContact CB-CG2 4.33Å; I434-T498 HydrophobicContact CG2-CG2 4.31Å; I434-T498 CarbonylContact O-C 3.58Å; I434-T498 VanDerWaalsContact O-CA 3.24Å; I434-T498 WeakPolarHBondContact O-CA 3.39Å; I434-K499 PolarHBondContact O-N 2.75Å
435	N	92.8	Very high	86.4	Confident	91 Å²	91	65.3 Å²	65.3	49%	0.487	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.7	176.5	-66.4	-36.1	0	0	0	109.8	K499 E501	N435-K499 CarbonylContact C-O 3.49Å; N435-K499 VanDerWaalsContact CA-O 3.26Å; N435-K499 WeakPolarHBondContact CA-O 3.38Å; N435-E501 HydrophobicContact CB-CG 4.06Å
436	R	93.1	Very high	87.9	Confident	163 Å²	163	59 Å²	59	62%	0.615	32%	0.319	S	S	*	.			trans	-147.9	129.1	175.5	-171.1	175.7	176.7	-177.5	2.1	110	I434 I439 T498 K499 P500	I434-R436 PolarHBondContact O-N 3.26Å; R436-I439 HydrophobicContact CB-CG2 3.92Å; R436-I439 HydrophobicContact CG-CG2 3.82Å; R436-T498 HydrophobicContact CB-CG2 3.58Å; R436-K499 PolarHBondContact N-O 2.88Å; R436-K499 CarbonylContact O-C 3.55Å; R436-K499 VanDerWaalsContact O-C 3.27Å; R436-P500 WeakPolarHBondContact O-CA 3.35Å
437	D	90.8	Very high	89.1	Confident	60 Å²	60	57.6 Å²	57.6	32%	0.321	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	158.2	177.9	-68.9	-18.1	0	0	0	112.2	I439 K504	D437-I439 PolarHBondContact O-N 3.02Å; D437-K504 WeakPolarHBondContact OD1-CD 3.3Å; D437-K504 IonicContact OD1-NZ 2.7Å; D437-K504 PolarHBondContact OD1-NZ 2.88Å; D437-K504 IonicContact OD2-NZ 2.78Å; D437-K504 PolarHBondContact OD2-NZ 3.32Å
438	N	92.3	Very high	89.8	Confident	93 Å²	93	53.8 Å²	53.8	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	7.7	175.8	-44.4	-78.5	0	0	0	116.9	R464 S465 Q590	N438-R464 WeakPolarHBondContact O-CA 3.37Å; N438-S465 PolarHBondContact O-N 3.39Å; N438-Q590 VanDerWaalsContact N-OE1 3.09Å; N438-Q590 PolarHBondContact OD1-NE2 2.96Å
439	I	94.8	Very high	90.4	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.087	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	136.9	-176.7	-169.5	169	0	0	0	111.9	R436 D437 K441 E462 V463 T498 K499	R436-I439 HydrophobicContact CB-CG2 3.92Å; R436-I439 HydrophobicContact CG-CG2 3.82Å; D437-I439 PolarHBondContact O-N 3.02Å; I439-K441 HydrophobicContact CD1-CB 4.39Å; I439-K441 HydrophobicContact CG1-CB 4.3Å; I439-E462 HydrophobicContact CD1-CG 3.77Å; I439-E462 HydrophobicContact CG1-CG 3.96Å; I439-V463 WeakPolarHBondContact CA-O 3.17Å; I439-T498 HydrophobicContact CG2-CG2 3.85Å; I439-K499 WeakPolarHBondContact O-CA 3.46Å
440	I	95	Very high	90.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.7	163	-63.5	174.6	0	0	0	106.6	F442 V463 L486 T498 L505 F591	I440-F442 HydrophobicContact CG2-CD2 4.34Å; I440-F442 HydrophobicContact CG2-CE2 3.96Å; I440-V463 HydrophobicContact CB-CB 4.46Å; I440-V463 PolarHBondContact N-O 3.47Å; I440-V463 PolarHBondContact O-N 2.93Å; I440-L486 HydrophobicContact CD1-CD2 4.29Å; I440-L486 HydrophobicContact CG2-CD1 3.82Å; I440-L486 HydrophobicContact CG2-CD2 4.48Å; I440-T498 CarbonylContact C-O 3.57Å; I440-T498 VanDerWaalsContact CA-O 3.31Å; I440-T498 WeakPolarHBondContact CA-O 3.31Å; I440-L505 HydrophobicContact CD1-CD1 4.27Å; I440-F591 HydrophobicContact CD1-CB 4.13Å; I440-F591 HydrophobicContact CD1-CD1 3.46Å; I440-F591 VanDerWaalsContact CD1-CD1 3.46Å; I440-F591 HydrophobicContact CD1-CD2 4.29Å; I440-F591 HydrophobicContact CD1-CE1 3.84Å; I440-F591 HydrophobicContact CD1-CG 3.72Å; I440-F591 HydrophobicContact CD1-CZ 4.38Å; I440-F591 HydrophobicContact CG1-CD1 4.12Å; I440-F591 HydrophobicContact CG1-CD2 4.45Å; I440-F591 HydrophobicContact CG1-CE1 4.02Å; I440-F591 HydrophobicContact CG1-CE2 4.35Å; I440-F591 HydrophobicContact CG1-CG 4.33Å; I440-F591 HydrophobicContact CG1-CZ 4.14Å
441	K	95.6	Very high	90.1	Very high	56 Å²	56	49.8 Å²	49.8	24%	0.243	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.4	179.9	-174.7	-173	177	-156.6	0	110.1	I439 D443 F461 E462 T498	I439-K441 HydrophobicContact CD1-CB 4.39Å; I439-K441 HydrophobicContact CG1-CB 4.3Å; K441-D443 IonicContact NZ-OD2 3.1Å; K441-D443 PolarHBondContact NZ-OD2 3.28Å; K441-F461 WeakPolarHBondContact CA-O 3.47Å; K441-E462 HydrophobicContact CB-CG 4.47Å; K441-E462 HydrophobicContact CG-CB 4.25Å; K441-T498 PolarHBondContact N-O 3.08Å; K441-T498 PolarHBondContact O-N 3.03Å
442	F	95.3	Very high	89.6	Confident	1 Å²	1	50.1 Å²	50.1	0%	0.004	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.4	163.6	-71.4	-101.4	0	0	0	107.4	I440 T445 L459 T460 F461 L482 V485 L486 L497	I440-F442 HydrophobicContact CG2-CD2 4.34Å; I440-F442 HydrophobicContact CG2-CE2 3.96Å; F442-T445 HydrophobicContact CD1-CG2 4.07Å; F442-L459 HydrophobicContact CB-CG 4.36Å; F442-L459 WeakPolarHBondContact CB-O 3.23Å; F442-L459 HydrophobicContact CD1-CD2 3.93Å; F442-L459 HydrophobicContact CE1-CD2 4.31Å; F442-L459 HydrophobicContact CG-CD2 4.22Å; F442-T460 VanDerWaalsContact O-CA 3.28Å; F442-T460 WeakPolarHBondContact O-CA 3.39Å; F442-F461 HydrophobicContact CB-CD1 4.05Å; F442-F461 HydrophobicContact CB-CE1 3.97Å; F442-F461 HydrophobicContact CD2-CD1 4.13Å; F442-F461 AromaticContact CD2-CE1 3.34Å; F442-F461 HydrophobicContact CD2-CE1 3.34Å; F442-F461 AromaticContact CD2-CE2 3.93Å; F442-F461 HydrophobicContact CD2-CE2 3.93Å; F442-F461 AromaticContact CD2-CZ 3.21Å; F442-F461 HydrophobicContact CD2-CZ 3.21Å; F442-F461 AromaticContact CE2-CE1 3.95Å; F442-F461 HydrophobicContact CE2-CE1 3.95Å; F442-F461 HydrophobicContact CE2-CE2 4.32Å; F442-F461 AromaticContact CE2-CZ 3.51Å; F442-F461 HydrophobicContact CE2-CZ 3.51Å; F442-F461 HydrophobicContact CG-CD1 4.32Å; F442-F461 AromaticContact CG-CE1 3.73Å; F442-F461 HydrophobicContact CG-CE1 3.73Å; F442-F461 HydrophobicContact CG-CZ 4.09Å; F442-F461 PolarHBondContact N-O 2.93Å; F442-F461 PolarHBondContact O-N 2.87Å; F442-L482 HydrophobicContact CD1-CD1 4.44Å; F442-L482 HydrophobicContact CE1-CD1 3.7Å; F442-L482 HydrophobicContact CE2-CD1 4.05Å; F442-L482 HydrophobicContact CZ-CD1 3.47Å; F442-L482 VanDerWaalsContact CZ-CD1 3.47Å; F442-L482 HydrophobicContact CZ-CG 4.46Å; F442-V485 HydrophobicContact CE1-CG1 4.39Å; F442-L486 HydrophobicContact CE2-CD1 4.32Å; F442-L486 HydrophobicContact CZ-CB 4.33Å; F442-L486 HydrophobicContact CZ-CD1 4.27Å; F442-L497 HydrophobicContact CD1-CD1 3.99Å; F442-L497 HydrophobicContact CD2-CD1 4.04Å; F442-L497 HydrophobicContact CE1-CD1 3.73Å; F442-L497 HydrophobicContact CE2-CD1 3.77Å; F442-L497 HydrophobicContact CG-CD1 4.15Å; F442-L497 HydrophobicContact CZ-CD1 3.61Å
443	D	94.8	Very high	89.3	Confident	43 Å²	43	47.5 Å²	47.5	23%	0.23	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	106.6	-178.3	-161.3	-8.7	0	0	0	108.5	K441 T445 G495 N496	K441-D443 IonicContact NZ-OD2 3.1Å; K441-D443 PolarHBondContact NZ-OD2 3.28Å; D443-T445 VanDerWaalsContact C-N 3.27Å; D443-T445 PolarHBondContact O-N 3.28Å; D443-T445 PolarHBondContact O-OG1 2.99Å; D443-G495 WeakPolarHBondContact O-CA 3.42Å; D443-N496 HydrophobicContact CB-CB 4.2Å; D443-N496 PolarHBondContact N-O 3.22Å; D443-N496 PolarHBondContact O-N 3.29Å
444	H	92.8	Very high	89	Confident	111 Å²	111	47 Å²	47	51%	0.514	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.2	45.5	-175.8	-64.7	-69.8	0	0	0	115.1	P446 D458 T460 G495	H444-P446 WeakPolarHBondContact O-CD 3.44Å; H444-D458 WeakPolarHBondContact CA-OD1 3.43Å; H444-D458 WeakPolarHBondContact CB-OD1 3.4Å; H444-D458 IonicContact CE1-OD2 3.58Å; H444-D458 IonicContact CG-OD1 3.71Å; H444-D458 IonicContact CG-OD2 3.93Å; H444-D458 IonicContact ND1-OD1 3.3Å; H444-D458 PolarHBondContact ND1-OD1 2.88Å; H444-D458 IonicContact ND1-OD2 2.81Å; H444-D458 PolarHBondContact ND1-OD2 3.1Å; H444-T460 PolarHBondContact N-OG1 3.48Å; H444-G495 WeakPolarHBondContact O-CA 3.44Å
445	T	92.4	Very high	88.8	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.1	-170.8	-57.9	0	0	0	0	111	F442 D443 L447 L459 L492 N496	F442-T445 HydrophobicContact CD1-CG2 4.07Å; D443-T445 VanDerWaalsContact C-N 3.27Å; D443-T445 PolarHBondContact O-N 3.28Å; D443-T445 PolarHBondContact O-OG1 2.99Å; T445-L447 PolarHBondContact O-N 3.06Å; T445-L459 PolarHBondContact N-O 3.39Å; T445-L459 WeakPolarHBondContact O-CB 3.45Å; T445-L459 PolarHBondContact O-N 3.46Å; T445-L492 HydrophobicContact CG2-CD2 3.71Å; T445-N496 PolarHBondContact OG1-O 2.99Å
446	P	91.8	Very high	88.7	Confident	20 Å²	20	41 Å²	41	13%	0.13	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.7	173.3	27.4	-32.8	0	0	0	110.6	L426 H444 L454 R457 F493	L426-P446 HydrophobicContact CD2-CB 4.44Å; H444-P446 WeakPolarHBondContact O-CD 3.44Å; P446-L454 HydrophobicContact CB-CD1 4.09Å; P446-R457 WeakPolarHBondContact CA-O 3.26Å; P446-R457 WeakPolarHBondContact CB-O 3.14Å; P446-F493 HydrophobicContact CG-CB 4.21Å
447	L	90.4	Very high	88.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	111.6	173.4	-174.3	64.1	0	0	0	109	T445 L455 I456 L482 V485 M639	T445-L447 PolarHBondContact O-N 3.06Å; L447-L455 HydrophobicContact CD2-CB 4.28Å; L447-L455 HydrophobicContact CD2-CD1 4.39Å; L447-L455 HydrophobicContact CG-CB 4.2Å; L447-L455 HydrophobicContact CG-CD1 4.26Å; L447-L455 WeakPolarHBondContact O-CA 3.5Å; L447-L455 WeakPolarHBondContact O-CB 3.45Å; L447-L455 PolarHBondContact O-N 3.38Å; L447-I456 HydrophobicContact CB-CB 4Å; L447-I456 HydrophobicContact CD2-CD1 4.38Å; L447-I456 PolarHBondContact N-O 2.81Å; L447-I456 PolarHBondContact O-N 3.5Å; L447-L482 HydrophobicContact CD2-CB 4.25Å; L447-V485 HydrophobicContact CD1-CB 4.41Å; L447-V485 HydrophobicContact CD1-CG2 3.76Å; L447-M639 HydrophobicContact CD2-CE 3.74Å
448	A	88.2	Confident	88.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.4	178.8	0	0	0	0	0	112	L426 D453 L454 F493	L426-A448 HydrophobicContact CD1-CB 3.67Å; A448-D453 CarbonylContact C-O 3.46Å; A448-D453 VanDerWaalsContact CA-O 3.27Å; A448-D453 WeakPolarHBondContact CA-O 3.4Å; A448-L454 HydrophobicContact CB-CD1 4.19Å; A448-F493 HydrophobicContact CB-CD2 3.8Å; A448-F493 HydrophobicContact CB-CE2 3.97Å; A448-F493 HydrophobicContact CB-CG 4.37Å
449	T	85.1	Confident	88.5	Confident	17 Å²	17	37.6 Å²	37.6	10%	0.104	19%	0.188	C	C	.	.			trans	-71.9	155.9	169.9	72.7	0	0	0	0	110	N451 G452 D453 L455 W490	T449-N451 PolarHBondContact O-N 2.82Å; T449-N451 VanDerWaalsContact O-N 3.08Å; T449-N451 PolarHBondContact OG1-N 3.18Å; T449-G452 PolarHBondContact O-N 3.01Å; T449-D453 HydrophobicContact CG2-CB 4.06Å; T449-D453 PolarHBondContact N-O 2.8Å; T449-D453 WeakPolarHBondContact OG1-CB 3.48Å; T449-D453 PolarHBondContact OG1-N 3.46Å; T449-D453 PolarHBondContact OG1-OD2 3.4Å; T449-L455 HydrophobicContact CG2-CD1 3.85Å; T449-L455 HydrophobicContact CG2-CD2 4Å; T449-L455 HydrophobicContact CG2-CG 3.99Å; T449-W490 HydrophobicContact CG2-CH2 4.32Å; T449-W490 HydrophobicContact CG2-CZ3 4.29Å
450	P	76.6	Confident	88.5	Confident	6 Å²	6	39 Å²	39	4%	0.039	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.8	173.4	-16.3	30	0	0	0	113.3	L178 R408 G452 W490	L178-P450 HydrophobicContact CD2-CB 3.58Å; L178-P450 HydrophobicContact CD2-CG 3.46Å; L178-P450 VanDerWaalsContact CD2-CG 3.46Å; R408-P450 VanDerWaalsContact CD-O 3.26Å; R408-P450 WeakPolarHBondContact CD-O 3.38Å; P450-G452 VanDerWaalsContact C-N 3.28Å; P450-W490 HydrophobicContact CG-CD2 3.57Å; P450-W490 VanDerWaalsContact CG-CE2 3.48Å; P450-W490 HydrophobicContact CG-CE3 4.08Å; P450-W490 HydrophobicContact CG-CG 3.84Å; P450-W490 HydrophobicContact CG-CH2 4.42Å; P450-W490 HydrophobicContact CG-CZ2 3.95Å; P450-W490 HydrophobicContact CG-CZ3 4.46Å
451	N	72.8	Confident	88.5	Confident	69 Å²	69	39.5 Å²	39.5	37%	0.369	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.1	170.9	-65.7	-25.5	0	0	0	112.6	R408 T449	R408-N451 PolarHBondContact NE-OD1 3.15Å; R408-N451 PolarHBondContact NH2-OD1 2.95Å; R408-N451 VanDerWaalsContact NH2-OD1 3.16Å; T449-N451 PolarHBondContact O-N 2.82Å; T449-N451 VanDerWaalsContact O-N 3.08Å; T449-N451 PolarHBondContact OG1-N 3.18Å
452	G	73.5	Confident	88.5	Confident	21 Å²	21	40.1 Å²	40.1	22%	0.216	20%	0.203	C	C	.	.	S	Bend	trans	95	7.3	-176.8	0	0	0	0	0	114.8	T449 P450 L454	T449-G452 PolarHBondContact O-N 3.01Å; P450-G452 VanDerWaalsContact C-N 3.28Å; G452-L454 PolarHBondContact O-N 3.49Å
453	D	82.4	Confident	88.5	Confident	74 Å²	74	40.3 Å²	40.3	40%	0.396	21%	0.205	S	C	.	.			trans	-79.2	118.3	176.5	-48.2	-60	0	0	0	109.3	A448 T449 L455	A448-D453 CarbonylContact C-O 3.46Å; A448-D453 VanDerWaalsContact CA-O 3.27Å; A448-D453 WeakPolarHBondContact CA-O 3.4Å; T449-D453 HydrophobicContact CG2-CB 4.06Å; T449-D453 PolarHBondContact N-O 2.8Å; T449-D453 WeakPolarHBondContact OG1-CB 3.48Å; T449-D453 PolarHBondContact OG1-N 3.46Å; T449-D453 PolarHBondContact OG1-OD2 3.4Å; D453-L455 PolarHBondContact O-N 2.88Å
454	L	86.1	Confident	88.4	Confident	65 Å²	65	45.9 Å²	45.9	34%	0.34	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.6	177.1	-169.7	63	0	0	0	109.8	L426 P446 A448 G452 I456 R457	L426-L454 HydrophobicContact CD1-CD1 4.33Å; L426-L454 HydrophobicContact CD2-CD1 4.29Å; P446-L454 HydrophobicContact CB-CD1 4.09Å; A448-L454 HydrophobicContact CB-CD1 4.19Å; G452-L454 PolarHBondContact O-N 3.49Å; L454-I456 WeakPolarHBondContact CD1-O 3.4Å; L454-R457 HydrophobicContact CD2-CB 4.39Å; L454-R457 HydrophobicContact CD2-CG 3.76Å; L454-R457 HydrophobicContact CG-CG 4.48Å
455	L	89.3	Confident	88.4	Confident	36 Å²	36	42.8 Å²	42.8	19%	0.188	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-42.7	-179.4	-57.9	175.8	0	0	0	111.8	L447 T449 D453 S481 G643	L447-L455 HydrophobicContact CD2-CB 4.28Å; L447-L455 HydrophobicContact CD2-CD1 4.39Å; L447-L455 HydrophobicContact CG-CB 4.2Å; L447-L455 HydrophobicContact CG-CD1 4.26Å; L447-L455 WeakPolarHBondContact O-CA 3.5Å; L447-L455 WeakPolarHBondContact O-CB 3.45Å; L447-L455 PolarHBondContact O-N 3.38Å; T449-L455 HydrophobicContact CG2-CD1 3.85Å; T449-L455 HydrophobicContact CG2-CD2 4Å; T449-L455 HydrophobicContact CG2-CG 3.99Å; D453-L455 PolarHBondContact O-N 2.88Å; L455-S481 WeakPolarHBondContact CD1-OG 3.37Å; L455-G643 WeakPolarHBondContact O-CA 3.44Å
456	I	90.7	Very high	88.3	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132	171.7	-63.2	179.9	0	0	0	107.6	L447 L454 L459 M639 Y645	L447-I456 HydrophobicContact CB-CB 4Å; L447-I456 HydrophobicContact CD2-CD1 4.38Å; L447-I456 PolarHBondContact N-O 2.81Å; L447-I456 PolarHBondContact O-N 3.5Å; L454-I456 WeakPolarHBondContact CD1-O 3.4Å; I456-L459 HydrophobicContact CD1-CD1 3.96Å; I456-L459 HydrophobicContact CG2-CB 4.16Å; I456-L459 HydrophobicContact CG2-CD1 4.41Å; I456-M639 HydrophobicContact CD1-CE 3.38Å; I456-M639 HydrophobicContact CD1-CG 4.37Å; I456-M639 HydrophobicContact CG1-CE 4.1Å; I456-Y645 HydrophobicContact CD1-CD1 4.36Å; I456-Y645 HydrophobicContact CD1-CG 4.44Å; I456-Y645 HydrophobicContact CG2-CD1 3.97Å; I456-Y645 HydrophobicContact CG2-CE1 4.41Å
457	R	87.8	Confident	88.4	Confident	171 Å²	171	46 Å²	46	65%	0.645	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	-45.2	-177.5	-64.6	-170	173.7	-175.2	-0.2	112.7	P446 L454	P446-R457 WeakPolarHBondContact CA-O 3.26Å; P446-R457 WeakPolarHBondContact CB-O 3.14Å; L454-R457 HydrophobicContact CD2-CB 4.39Å; L454-R457 HydrophobicContact CD2-CG 3.76Å; L454-R457 HydrophobicContact CG-CG 4.48Å
458	D	90.6	Very high	88.7	Confident	70 Å²	70	46.2 Å²	46.2	37%	0.374	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	104.5	-173.8	-167.6	35	0	0	0	109.6	H444 Y645	H444-D458 WeakPolarHBondContact CA-OD1 3.43Å; H444-D458 WeakPolarHBondContact CB-OD1 3.4Å; H444-D458 IonicContact CE1-OD2 3.58Å; H444-D458 IonicContact CG-OD1 3.71Å; H444-D458 IonicContact CG-OD2 3.93Å; H444-D458 IonicContact ND1-OD1 3.3Å; H444-D458 PolarHBondContact ND1-OD1 2.88Å; H444-D458 IonicContact ND1-OD2 2.81Å; H444-D458 PolarHBondContact ND1-OD2 3.1Å; D458-Y645 VanDerWaalsContact O-CE1 3.24Å; D458-Y645 WeakPolarHBondContact O-CE1 3.45Å
459	L	93.1	Very high	89.1	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.4	-179	-170.7	65	0	0	0	109.9	F442 T445 I456 F461 L482 Y645	F442-L459 HydrophobicContact CB-CG 4.36Å; F442-L459 WeakPolarHBondContact CB-O 3.23Å; F442-L459 HydrophobicContact CD1-CD2 3.93Å; F442-L459 HydrophobicContact CE1-CD2 4.31Å; F442-L459 HydrophobicContact CG-CD2 4.22Å; T445-L459 PolarHBondContact N-O 3.39Å; T445-L459 WeakPolarHBondContact O-CB 3.45Å; T445-L459 PolarHBondContact O-N 3.46Å; I456-L459 HydrophobicContact CD1-CD1 3.96Å; I456-L459 HydrophobicContact CG2-CB 4.16Å; I456-L459 HydrophobicContact CG2-CD1 4.41Å; L459-F461 HydrophobicContact CD1-CD1 4Å; L459-F461 HydrophobicContact CD1-CE1 4.06Å; L459-F461 HydrophobicContact CD2-CD1 4.45Å; L459-F461 HydrophobicContact CD2-CE1 3.81Å; L459-F461 HydrophobicContact CG-CD1 3.92Å; L459-F461 HydrophobicContact CG-CE1 3.8Å; L459-L482 HydrophobicContact CD2-CD1 3.46Å; L459-L482 VanDerWaalsContact CD2-CD1 3.46Å; L459-Y645 HydrophobicContact CD1-CD1 3.68Å; L459-Y645 HydrophobicContact CD1-CD2 3.74Å; L459-Y645 HydrophobicContact CD1-CE1 3.77Å; L459-Y645 HydrophobicContact CD1-CE2 3.8Å; L459-Y645 HydrophobicContact CD1-CG 3.67Å
460	T	95	Very high	89.5	Confident	48 Å²	48	45.4 Å²	45.4	29%	0.294	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	112.8	-179.6	-60.3	0	0	0	0	110.8	F442 H444 Y645	F442-T460 VanDerWaalsContact O-CA 3.28Å; F442-T460 WeakPolarHBondContact O-CA 3.39Å; H444-T460 PolarHBondContact N-OG1 3.48Å; T460-Y645 WeakPolarHBondContact CA-OH 3.18Å; T460-Y645 PolarHBondContact N-OH 3.48Å; T460-Y645 PolarHBondContact O-OH 3.48Å
461	F	95	Very high	90.3	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	161.2	172.6	69.3	-86.5	0	0	0	111.1	K441 F442 L459 V463 F621 L637 F647	K441-F461 WeakPolarHBondContact CA-O 3.47Å; F442-F461 HydrophobicContact CB-CD1 4.05Å; F442-F461 HydrophobicContact CB-CE1 3.97Å; F442-F461 HydrophobicContact CD2-CD1 4.13Å; F442-F461 AromaticContact CD2-CE1 3.34Å; F442-F461 HydrophobicContact CD2-CE1 3.34Å; F442-F461 AromaticContact CD2-CE2 3.93Å; F442-F461 HydrophobicContact CD2-CE2 3.93Å; F442-F461 AromaticContact CD2-CZ 3.21Å; F442-F461 HydrophobicContact CD2-CZ 3.21Å; F442-F461 AromaticContact CE2-CE1 3.95Å; F442-F461 HydrophobicContact CE2-CE1 3.95Å; F442-F461 HydrophobicContact CE2-CE2 4.32Å; F442-F461 AromaticContact CE2-CZ 3.51Å; F442-F461 HydrophobicContact CE2-CZ 3.51Å; F442-F461 HydrophobicContact CG-CD1 4.32Å; F442-F461 AromaticContact CG-CE1 3.73Å; F442-F461 HydrophobicContact CG-CE1 3.73Å; F442-F461 HydrophobicContact CG-CZ 4.09Å; F442-F461 PolarHBondContact N-O 2.93Å; F442-F461 PolarHBondContact O-N 2.87Å; L459-F461 HydrophobicContact CD1-CD1 4Å; L459-F461 HydrophobicContact CD1-CE1 4.06Å; L459-F461 HydrophobicContact CD2-CD1 4.45Å; L459-F461 HydrophobicContact CD2-CE1 3.81Å; L459-F461 HydrophobicContact CG-CD1 3.92Å; L459-F461 HydrophobicContact CG-CE1 3.8Å; F461-V463 HydrophobicContact CD2-CG2 3.75Å; F461-V463 HydrophobicContact CE2-CG2 3.71Å; F461-F621 AromaticContact CE2-CZ 3.95Å; F461-F621 HydrophobicContact CE2-CZ 3.95Å; F461-F621 HydrophobicContact CZ-CE1 4.4Å; F461-F621 AromaticContact CZ-CZ 3.89Å; F461-F621 HydrophobicContact CZ-CZ 3.89Å; F461-L637 HydrophobicContact CE1-CD2 4.19Å; F461-L637 HydrophobicContact CZ-CD2 4.18Å; F461-F647 HydrophobicContact CB-CB 4.43Å; F461-F647 HydrophobicContact CB-CD1 3.94Å; F461-F647 HydrophobicContact CB-CE1 4.36Å; F461-F647 HydrophobicContact CB-CG 4.08Å
462	E	95.1	Very high	91.2	Very high	69 Å²	69	42 Å²	42	32%	0.322	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.4	179.6	-179.5	178.7	144.9	0	0	110.4	I439 K441 R464	I439-E462 HydrophobicContact CD1-CG 3.77Å; I439-E462 HydrophobicContact CG1-CG 3.96Å; K441-E462 HydrophobicContact CB-CG 4.47Å; K441-E462 HydrophobicContact CG-CB 4.25Å; E462-R464 IonicContact OE1-CZ 3.38Å; E462-R464 IonicContact OE1-NE 2.78Å; E462-R464 PolarHBondContact OE1-NE 2.64Å; E462-R464 IonicContact OE1-NH2 3.06Å; E462-R464 PolarHBondContact OE1-NH2 3.01Å
463	V	94.5	Very high	92	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.1	173.7	-173.5	0	0	0	0	108.5	I439 I440 F461 T467 V469 F591 F647	I439-V463 WeakPolarHBondContact CA-O 3.17Å; I440-V463 HydrophobicContact CB-CB 4.46Å; I440-V463 PolarHBondContact N-O 3.47Å; I440-V463 PolarHBondContact O-N 2.93Å; F461-V463 HydrophobicContact CD2-CG2 3.75Å; F461-V463 HydrophobicContact CE2-CG2 3.71Å; V463-T467 WeakPolarHBondContact CG1-O 3.31Å; V463-V469 HydrophobicContact CB-CG2 4.35Å; V463-V469 HydrophobicContact CG1-CG2 3.63Å; V463-V469 HydrophobicContact CG2-CG2 3.74Å; V463-F591 HydrophobicContact CG1-CE1 4.35Å; V463-F647 HydrophobicContact CG2-CZ 4.28Å
464	R	94.2	Very high	92.2	Very high	160 Å²	160	40.9 Å²	40.9	60%	0.604	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	154.6	176.7	-65	-175.6	178.9	-171	1.3	110.7	N438 E462 G466 T467	N438-R464 WeakPolarHBondContact O-CA 3.37Å; E462-R464 IonicContact OE1-CZ 3.38Å; E462-R464 IonicContact OE1-NE 2.78Å; E462-R464 PolarHBondContact OE1-NE 2.64Å; E462-R464 IonicContact OE1-NH2 3.06Å; E462-R464 PolarHBondContact OE1-NH2 3.01Å; R464-G466 PolarHBondContact O-N 3.45Å; R464-T467 WeakPolarHBondContact O-CB 3.31Å; R464-T467 PolarHBondContact O-N 3.14Å
465	S	92.1	Very high	92.3	Very high	46 Å²	46	44.3 Å²	44.3	32%	0.322	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	133.2	173	-160.6	0	0	0	0	110.2	N438 Q590 T619	N438-S465 PolarHBondContact O-N 3.39Å; S465-Q590 PolarHBondContact OG-NE2 2.98Å; S465-Q590 VanDerWaalsContact OG-NE2 3.08Å; S465-T619 WeakPolarHBondContact CA-OG1 3.12Å; S465-T619 PolarHBondContact OG-OG1 3.18Å
466	G	91.1	Very high	92	Very high	50 Å²	50	46.3 Å²	46.3	52%	0.515	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-9	-175.9	0	0	0	0	0	114.7	R464 T619	R464-G466 PolarHBondContact O-N 3.45Å; G466-T619 PolarHBondContact N-OG1 3.02Å
467	T	93.7	Very high	91.8	Very high	39 Å²	39	46.4 Å²	46.4	24%	0.239	26%	0.264	C	S	.	.			trans	-100.3	111.4	174.2	-51.6	0	0	0	0	110.4	V463 R464 T619 E634 Y635	V463-T467 WeakPolarHBondContact CG1-O 3.31Å; R464-T467 WeakPolarHBondContact O-CB 3.31Å; R464-T467 PolarHBondContact O-N 3.14Å; T467-T619 WeakPolarHBondContact O-CG2 3.13Å; T467-E634 HydrophobicContact CG2-CB 4.44Å; T467-Y635 HydrophobicContact CG2-CD2 3.32Å; T467-Y635 HydrophobicContact CG2-CE2 3.61Å; T467-Y635 HydrophobicContact CG2-CG 4.29Å
468	N	95.8	Very high	91.8	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.032	24%	0.236	C	C	.	.			trans	-87	134.4	-179.5	-51.4	-62.2	0	0	0	109.8	L620 H633 E634 Y635	N468-L620 CarbonylContact C-O 3.58Å; N468-L620 VanDerWaalsContact CA-O 3.3Å; N468-L620 WeakPolarHBondContact CA-O 3.44Å; N468-L620 HydrophobicContact CB-CB 4.11Å; N468-L620 PolarHBondContact OD1-N 2.59Å; N468-H633 HydrophobicContact CB-CB 4.42Å; N468-E634 WeakPolarHBondContact CA-OE2 3.47Å; N468-E634 WeakPolarHBondContact CB-OE2 3.45Å; N468-E634 PolarHBondContact N-OE2 2.9Å; N468-E634 PolarHBondContact ND2-OE1 3.41Å; N468-E634 PolarHBondContact ND2-OE2 3.26Å; N468-E634 PolarHBondContact O-N 2.74Å; N468-Y635 PolarHBondContact O-N 3.49Å
469	V	95.8	Very high	91.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.9	-175.7	-175.7	0	0	0	0	111	V463 L620 F621 T622 H633 Y635 L637 F647	V463-V469 HydrophobicContact CB-CG2 4.35Å; V463-V469 HydrophobicContact CG1-CG2 3.63Å; V463-V469 HydrophobicContact CG2-CG2 3.74Å; V469-L620 PolarHBondContact N-O 3.31Å; V469-F621 HydrophobicContact CB-CD2 3.61Å; V469-F621 HydrophobicContact CB-CE2 3.76Å; V469-F621 HydrophobicContact CG1-CD2 3.92Å; V469-F621 HydrophobicContact CG1-CE2 3.56Å; V469-F621 WeakPolarHBondContact O-CA 3.39Å; V469-T622 PolarHBondContact O-N 3.1Å; V469-H633 PolarHBondContact O-CD2 2.96Å; V469-Y635 WeakPolarHBondContact CA-O 3.15Å; V469-L637 HydrophobicContact CG1-CB 4.24Å; V469-F647 HydrophobicContact CG1-CD2 4.44Å; V469-F647 HydrophobicContact CG1-CE2 3.79Å; V469-F647 HydrophobicContact CG2-CE2 4.13Å; V469-F647 HydrophobicContact CG2-CZ 4.47Å
470	L	95	Very high	91.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.2	173.5	-172	70.2	0	0	0	110.3	C472 T622 L629 W630 H633 Y635 Y636 L637	L470-C472 VanDerWaalsContact CD2-SG 3.58Å; L470-T622 CarbonylContact C-O 3.51Å; L470-T622 WeakPolarHBondContact CA-O 3.48Å; L470-T622 HydrophobicContact CD1-CG2 4.16Å; L470-L629 HydrophobicContact CD1-CB 4.4Å; L470-W630 HydrophobicContact CD2-CD2 3.67Å; L470-W630 VanDerWaalsContact CD2-CE2 3.48Å; L470-W630 HydrophobicContact CD2-CE3 4.35Å; L470-W630 HydrophobicContact CD2-CG 3.76Å; L470-W630 HydrophobicContact CD2-CZ2 4.03Å; L470-H633 HydrophobicContact CB-CB 3.99Å; L470-Y635 PolarHBondContact N-O 2.78Å; L470-Y636 CarbonylContact O-C 3.55Å; L470-Y636 WeakPolarHBondContact O-CA 3.46Å; L470-L637 PolarHBondContact O-N 3.29Å
471	V	93.8	Very high	91.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.5	178.8	-175.9	0	0	0	0	109.2	K479 F483 F621 T622 V623 L637 M639	V471-K479 HydrophobicContact CG1-CB 4.29Å; V471-K479 HydrophobicContact CG1-CD 4.33Å; V471-K479 HydrophobicContact CG1-CG 4.13Å; V471-F483 HydrophobicContact CG2-CE1 4.31Å; V471-F483 HydrophobicContact CG2-CZ 4.14Å; V471-F621 HydrophobicContact CG2-CD2 3.68Å; V471-F621 HydrophobicContact CG2-CE2 3.25Å; V471-F621 HydrophobicContact CG2-CZ 3.8Å; V471-T622 PolarHBondContact N-O 3.3Å; V471-V623 HydrophobicContact CB-CG2 3.65Å; V471-V623 HydrophobicContact CG1-CG2 3.88Å; V471-V623 HydrophobicContact CG2-CG2 4.37Å; V471-L637 WeakPolarHBondContact CA-O 3.34Å; V471-L637 HydrophobicContact CG1-CD2 4.4Å; V471-L637 HydrophobicContact CG2-CB 4.33Å; V471-L637 HydrophobicContact CG2-CD2 4.3Å; V471-M639 HydrophobicContact CG1-SD 4.44Å
472	C	91.4	Very high	91.3	Very high	3 Å²	3	35 Å²	35	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	160.6	-176.2	-61.4	0	0	0	0	111.5	L470 L637 H638 M639	L470-C472 VanDerWaalsContact CD2-SG 3.58Å; C472-L637 PolarHBondContact N-O 3.46Å; C472-H638 WeakPolarHBondContact O-CA 3.47Å; C472-M639 PolarHBondContact O-N 3.1Å
473	G	89.6	Confident	91.1	Very high	9 Å²	9	31.8 Å²	31.8	9%	0.093	20%	0.204	C	C	.	.			trans	148.3	168.6	177.8	0	0	0	0	0	111.8	K479 H625 M639	G473-K479 PolarHBondContact O-NZ 2.7Å; G473-H625 PolarHBondContact O-CE1 3.24Å; G473-M639 VanDerWaalsContact CA-O 3.27Å; G473-M639 WeakPolarHBondContact CA-O 3.5Å
474	P	87.5	Confident	90.9	Very high	64 Å²	64	35.6 Å²	35.6	42%	0.416	22%	0.217	S	C	.	.			trans	-65.4	166.6	-177.8	26.2	-29.9	0	0	0	112.7	G476 C477 K479 M639	P474-G476 PolarHBondContact O-N 2.87Å; P474-C477 HydrophobicContact CG-CB 4.16Å; P474-C477 PolarHBondContact O-N 3.41Å; P474-C477 PolarHBondContact O-SG 2.87Å; P474-K479 PolarHBondContact O-NZ 2.76Å; P474-M639 WeakPolarHBondContact CD-O 3.33Å
475	N	86.8	Confident	90.7	Very high	137 Å²	137	28.3 Å²	28.3	73%	0.733	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	135.5	175.6	-70.8	-13.5	0	0	0	110.3	H625	N475-H625 PolarHBondContact OD1-NE2 3.4Å
476	G	83.1	Confident	90.6	Very high	77 Å²	77	26.1 Å²	26.1	79%	0.794	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	1.2	-179.7	0	0	0	0	0	116.1	P474 G478	P474-G476 PolarHBondContact O-N 2.87Å; G476-G478 PolarHBondContact O-N 3.3Å
477	C	87.3	Confident	90.5	Very high	7 Å²	7	25 Å²	25	5%	0.047	16%	0.163	C	C	.	.	S	Bend	trans	-72.2	-7.1	178.7	67.1	0	0	0	0	115.1	P474 K479 M639	P474-C477 HydrophobicContact CG-CB 4.16Å; P474-C477 PolarHBondContact O-N 3.41Å; P474-C477 PolarHBondContact O-SG 2.87Å; C477-K479 WeakPolarHBondContact SG-CG 3.41Å; C477-M639 HydrophobicContact CB-CB 4.18Å; C477-M639 VanDerWaalsContact O-CE 3.25Å; C477-M639 WeakPolarHBondContact O-CE 3.49Å
478	G	87.6	Confident	90.2	Very high	5 Å²	5	24.8 Å²	24.8	5%	0.052	16%	0.16	C	C	.	.	S	Bend	trans	107.8	10.9	176.7	0	0	0	0	0	116.4	G476 S480 S481 L482	G476-G478 PolarHBondContact O-N 3.3Å; G478-S480 PolarHBondContact O-N 3Å; G478-S481 CarbonylContact O-C 3.52Å; G478-S481 WeakPolarHBondContact O-CA 3.33Å; G478-S481 VanDerWaalsContact O-CB 3.22Å; G478-S481 WeakPolarHBondContact O-CB 2.95Å; G478-S481 PolarHBondContact O-N 3.19Å; G478-L482 PolarHBondContact O-N 3.13Å
479	K	90.6	Very high	89.8	Confident	12 Å²	12	26.4 Å²	26.4	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-51.4	-55.6	177.7	-52.9	-172.1	-66.5	-91.3	0	113	V471 G473 P474 C477 S481 L482 F483 V623 H625 M639	V471-K479 HydrophobicContact CG1-CB 4.29Å; V471-K479 HydrophobicContact CG1-CD 4.33Å; V471-K479 HydrophobicContact CG1-CG 4.13Å; G473-K479 PolarHBondContact O-NZ 2.7Å; P474-K479 PolarHBondContact O-NZ 2.76Å; C477-K479 WeakPolarHBondContact SG-CG 3.41Å; K479-S481 PolarHBondContact O-N 3.38Å; K479-L482 WeakPolarHBondContact O-CB 3.36Å; K479-L482 PolarHBondContact O-N 3.21Å; K479-F483 PolarHBondContact O-N 3.44Å; K479-V623 HydrophobicContact CB-CG1 4.19Å; K479-V623 HydrophobicContact CB-CG2 3.87Å; K479-V623 HydrophobicContact CD-CG1 3.89Å; K479-V623 HydrophobicContact CD-CG2 4.49Å; K479-H625 PolarHBondContact NZ-NE2 3.44Å; K479-M639 HydrophobicContact CG-SD 4.03Å
480	S	88.9	Confident	89.5	Confident	34 Å²	34	27.6 Å²	27.6	24%	0.238	17%	0.173	C	C	.	.	H	α-helix	trans	-68.7	-24	176.8	-41	0	0	0	0	112.7	G478 F483 R484	G478-S480 PolarHBondContact O-N 3Å; S480-F483 PolarHBondContact O-N 2.99Å; S480-R484 VanDerWaalsContact O-CG 3.26Å; S480-R484 WeakPolarHBondContact O-CG 3.5Å; S480-R484 PolarHBondContact O-N 3.34Å
481	S	90.7	Very high	89	Confident	11 Å²	11	29 Å²	29	8%	0.077	18%	0.181	C	C	.	.	H	α-helix	trans	-67.8	-41.5	174.3	-58.3	0	0	0	0	111.4	L455 G478 K479 F483 R484 V485 W490	L455-S481 WeakPolarHBondContact CD1-OG 3.37Å; G478-S481 CarbonylContact O-C 3.52Å; G478-S481 WeakPolarHBondContact O-CA 3.33Å; G478-S481 VanDerWaalsContact O-CB 3.22Å; G478-S481 WeakPolarHBondContact O-CB 2.95Å; G478-S481 PolarHBondContact O-N 3.19Å; K479-S481 PolarHBondContact O-N 3.38Å; S481-F483 VanDerWaalsContact C-N 3.26Å; S481-F483 PolarHBondContact O-N 3.35Å; S481-R484 PolarHBondContact O-N 3.03Å; S481-V485 PolarHBondContact O-N 3.29Å; S481-W490 WeakPolarHBondContact OG-CH2 3.09Å; S481-W490 VanDerWaalsContact OG-CZ3 3.23Å; S481-W490 WeakPolarHBondContact OG-CZ3 3.32Å
482	L	92.3	Very high	88.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-53.9	-46.6	173.8	176.2	64	0	0	0	110.7	F442 L447 L459 G478 K479 V485 L486 F621 L637	F442-L482 HydrophobicContact CD1-CD1 4.44Å; F442-L482 HydrophobicContact CE1-CD1 3.7Å; F442-L482 HydrophobicContact CE2-CD1 4.05Å; F442-L482 HydrophobicContact CZ-CD1 3.47Å; F442-L482 VanDerWaalsContact CZ-CD1 3.47Å; F442-L482 HydrophobicContact CZ-CG 4.46Å; L447-L482 HydrophobicContact CD2-CB 4.25Å; L459-L482 HydrophobicContact CD2-CD1 3.46Å; L459-L482 VanDerWaalsContact CD2-CD1 3.46Å; G478-L482 PolarHBondContact O-N 3.13Å; K479-L482 WeakPolarHBondContact O-CB 3.36Å; K479-L482 PolarHBondContact O-N 3.21Å; L482-V485 PolarHBondContact O-N 3.15Å; L482-L486 WeakPolarHBondContact O-CB 3.11Å; L482-L486 PolarHBondContact O-N 2.86Å; L482-F621 HydrophobicContact CD2-CE1 4.25Å; L482-F621 HydrophobicContact CD2-CZ 4.03Å; L482-L637 HydrophobicContact CD2-CD2 3.68Å
483	F	90.8	Very high	88.4	Confident	2 Å²	2	30 Å²	30	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-71.7	-32.7	179.9	-63.6	-20	0	0	0	114	V471 K479 S480 S481 V485 L486 G487 Y507 I593 D595 F621 V623	V471-F483 HydrophobicContact CG2-CE1 4.31Å; V471-F483 HydrophobicContact CG2-CZ 4.14Å; K479-F483 PolarHBondContact O-N 3.44Å; S480-F483 PolarHBondContact O-N 2.99Å; S481-F483 VanDerWaalsContact C-N 3.26Å; S481-F483 PolarHBondContact O-N 3.35Å; F483-V485 VanDerWaalsContact C-N 3.28Å; F483-V485 PolarHBondContact O-N 2.85Å; F483-L486 PolarHBondContact O-N 2.85Å; F483-G487 PolarHBondContact O-N 3.34Å; F483-Y507 HydrophobicContact CB-CE2 3.65Å; F483-Y507 AromaticContact CD2-CE2 3.92Å; F483-Y507 HydrophobicContact CD2-CE2 3.92Å; F483-Y507 HydrophobicContact CG-CE2 4.1Å; F483-I593 HydrophobicContact CB-CG2 4.12Å; F483-I593 HydrophobicContact CD1-CG2 3.61Å; F483-I593 HydrophobicContact CD2-CG2 3.38Å; F483-I593 HydrophobicContact CE1-CG2 3.7Å; F483-I593 HydrophobicContact CE2-CG2 3.41Å; F483-I593 VanDerWaalsContact CE2-CG2 3.41Å; F483-I593 HydrophobicContact CG-CG2 3.45Å; F483-I593 VanDerWaalsContact CG-CG2 3.45Å; F483-I593 HydrophobicContact CZ-CG2 3.58Å; F483-D595 HydrophobicContact CD2-CB 4.21Å; F483-D595 HydrophobicContact CE2-CB 4.31Å; F483-F621 HydrophobicContact CD1-CD1 4.28Å; F483-F621 HydrophobicContact CD1-CE1 4.28Å; F483-F621 AromaticContact CE1-CD1 3.51Å; F483-F621 HydrophobicContact CE1-CD1 3.51Å; F483-F621 AromaticContact CE1-CE1 3.63Å; F483-F621 HydrophobicContact CE1-CE1 3.63Å; F483-F621 HydrophobicContact CE1-CG 4.04Å; F483-F621 HydrophobicContact CE1-CZ 4.25Å; F483-F621 HydrophobicContact CZ-CD1 4.32Å; F483-F621 HydrophobicContact CZ-CG 4.43Å; F483-V623 HydrophobicContact CD2-CG2 4.08Å; F483-V623 HydrophobicContact CE1-CG2 4.46Å; F483-V623 HydrophobicContact CE2-CB 3.91Å; F483-V623 HydrophobicContact CE2-CG2 3.14Å; F483-V623 HydrophobicContact CZ-CB 4.39Å; F483-V623 HydrophobicContact CZ-CG2 3.39Å
484	R	90.4	Very high	88.3	Confident	86 Å²	86	30.2 Å²	30.2	33%	0.325	19%	0.188	S	C	.	.	H	α-helix	trans	-64.6	-34.7	172.4	-72.8	172.2	-170.3	133.8	2	111.9	S480 S481 E488 L489 W490	S480-R484 VanDerWaalsContact O-CG 3.26Å; S480-R484 WeakPolarHBondContact O-CG 3.5Å; S480-R484 PolarHBondContact O-N 3.34Å; S481-R484 PolarHBondContact O-N 3.03Å; R484-E488 PolarHBondContact O-N 2.9Å; R484-L489 HydrophobicContact CB-CB 4.19Å; R484-L489 HydrophobicContact CG-CB 4.48Å; R484-L489 HydrophobicContact CG-CD1 4.19Å; R484-L489 WeakPolarHBondContact O-CA 3.45Å; R484-L489 WeakPolarHBondContact O-CB 3.43Å; R484-L489 PolarHBondContact O-N 3.22Å; R484-W490 HydrophobicContact CB-CB 4.26Å; R484-W490 HydrophobicContact CB-CD2 3.8Å; R484-W490 HydrophobicContact CB-CE3 4.38Å; R484-W490 HydrophobicContact CB-CG 3.74Å; R484-W490 PolarHBondContact O-N 3.43Å
485	V	90.6	Very high	88.4	Confident	7 Å²	7	28.3 Å²	28.3	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-69.5	-47.6	172.1	172.8	0	0	0	0	110.6	F442 L447 S481 L482 F483 G487 E488 W490 L492 L497	F442-V485 HydrophobicContact CE1-CG1 4.39Å; L447-V485 HydrophobicContact CD1-CB 4.41Å; L447-V485 HydrophobicContact CD1-CG2 3.76Å; S481-V485 PolarHBondContact O-N 3.29Å; L482-V485 PolarHBondContact O-N 3.15Å; F483-V485 VanDerWaalsContact C-N 3.28Å; F483-V485 PolarHBondContact O-N 2.85Å; V485-G487 VanDerWaalsContact C-N 3.3Å; V485-G487 PolarHBondContact O-N 3.21Å; V485-E488 PolarHBondContact O-N 2.95Å; V485-W490 HydrophobicContact CG2-CB 3.94Å; V485-L492 HydrophobicContact CG1-CD2 3.42Å; V485-L492 VanDerWaalsContact CG1-CD2 3.42Å; V485-L492 HydrophobicContact CG1-CG 4.49Å; V485-L497 HydrophobicContact CG1-CD2 4.38Å
486	L	90.8	Very high	88.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.9	-39	179.1	-174.6	58.6	0	0	0	112.8	I440 F442 L482 F483 E488 L497 K499 L505 I593 F621	I440-L486 HydrophobicContact CD1-CD2 4.29Å; I440-L486 HydrophobicContact CG2-CD1 3.82Å; I440-L486 HydrophobicContact CG2-CD2 4.48Å; F442-L486 HydrophobicContact CE2-CD1 4.32Å; F442-L486 HydrophobicContact CZ-CB 4.33Å; F442-L486 HydrophobicContact CZ-CD1 4.27Å; L482-L486 WeakPolarHBondContact O-CB 3.11Å; L482-L486 PolarHBondContact O-N 2.86Å; F483-L486 PolarHBondContact O-N 2.85Å; L486-E488 VanDerWaalsContact C-N 3.27Å; L486-E488 PolarHBondContact O-N 3.25Å; L486-L497 HydrophobicContact CD1-CD1 4.06Å; L486-L497 HydrophobicContact CD1-CD2 4.48Å; L486-K499 HydrophobicContact CD1-CB 4.19Å; L486-K499 HydrophobicContact CD1-CD 4.14Å; L486-K499 VanDerWaalsContact O-CD 3.27Å; L486-K499 WeakPolarHBondContact O-CD 3.49Å; L486-K499 WeakPolarHBondContact O-CE 3.49Å; L486-L505 HydrophobicContact CG-CD2 4.17Å; L486-I593 HydrophobicContact CB-CD1 4.45Å; L486-I593 HydrophobicContact CD2-CD1 3.45Å; L486-I593 VanDerWaalsContact CD2-CD1 3.45Å; L486-I593 HydrophobicContact CD2-CG1 4.02Å; L486-I593 HydrophobicContact CG-CD1 3.88Å; L486-F621 HydrophobicContact CD2-CD1 3.93Å; L486-F621 HydrophobicContact CD2-CE1 4.07Å
487	G	88.3	Confident	89.3	Confident	25 Å²	25	20.8 Å²	20.8	26%	0.258	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	8.2	176.3	0	0	0	0	0	115	F483 V485 L489	F483-G487 PolarHBondContact O-N 3.34Å; V485-G487 VanDerWaalsContact C-N 3.3Å; V485-G487 PolarHBondContact O-N 3.21Å; G487-L489 PolarHBondContact O-N 3.28Å; G487-L489 VanDerWaalsContact O-N 3.1Å
488	E	87.7	Confident	89.7	Confident	36 Å²	36	21.1 Å²	21.1	17%	0.168	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	16.7	-178.9	-50.9	175.2	-156.9	0	0	115	F170 I433 R484 V485 L486 K499 R502	F170-E488 HydrophobicContact CE2-CB 4.23Å; I433-E488 HydrophobicContact CD1-CG 4.11Å; R484-E488 PolarHBondContact O-N 2.9Å; V485-E488 PolarHBondContact O-N 2.95Å; L486-E488 VanDerWaalsContact C-N 3.27Å; L486-E488 PolarHBondContact O-N 3.25Å; E488-K499 WeakPolarHBondContact OE1-CE 3.37Å; E488-K499 IonicContact OE1-NZ 2.79Å; E488-K499 PolarHBondContact OE1-NZ 3.36Å; E488-R502 IonicContact OE1-NE 2.61Å; E488-R502 IonicContact OE2-CZ 3.83Å; E488-R502 IonicContact OE2-NE 2.87Å; E488-R502 PolarHBondContact OE2-NE 3.21Å; E488-R502 IonicContact OE2-NH2 2.62Å; E488-R502 PolarHBondContact OE2-NH2 3.24Å
489	L	87.6	Confident	90	Very high	39 Å²	39	21.1 Å²	21.1	20%	0.204	12%	0.123	C	C	.	.	S	Bend	trans	-72.9	-38	173.6	-64.3	179.4	0	0	0	110.5	F170 Y173 R484 G487	F170-L489 HydrophobicContact CB-CD2 4.49Å; F170-L489 HydrophobicContact CD1-CD2 4.3Å; F170-L489 HydrophobicContact CD2-CD2 4.5Å; F170-L489 HydrophobicContact CG-CD2 4.18Å; Y173-L489 HydrophobicContact CD1-CB 4.27Å; Y173-L489 HydrophobicContact CD1-CD2 4.08Å; Y173-L489 HydrophobicContact CD2-CD2 4.39Å; Y173-L489 HydrophobicContact CE1-CB 3.79Å; Y173-L489 HydrophobicContact CE1-CD2 4.34Å; Y173-L489 HydrophobicContact CE2-CD1 4.36Å; Y173-L489 HydrophobicContact CG-CD2 4.12Å; R484-L489 HydrophobicContact CB-CB 4.19Å; R484-L489 HydrophobicContact CG-CB 4.48Å; R484-L489 HydrophobicContact CG-CD1 4.19Å; R484-L489 WeakPolarHBondContact O-CA 3.45Å; R484-L489 WeakPolarHBondContact O-CB 3.43Å; R484-L489 PolarHBondContact O-N 3.22Å; G487-L489 PolarHBondContact O-N 3.28Å; G487-L489 VanDerWaalsContact O-N 3.1Å
490	W	88.1	Confident	90.1	Very high	26 Å²	26	20.6 Å²	20.6	10%	0.098	12%	0.12	C	C	.	.	S	Bend	trans	-108	143.4	173.6	-69.7	6.9	0	0	0	110.2	Y173 T449 P450 S481 R484 V485	Y173-W490 PolarHBondContact OH-NE1 3.2Å; T449-W490 HydrophobicContact CG2-CH2 4.32Å; T449-W490 HydrophobicContact CG2-CZ3 4.29Å; P450-W490 HydrophobicContact CG-CD2 3.57Å; P450-W490 VanDerWaalsContact CG-CE2 3.48Å; P450-W490 HydrophobicContact CG-CE3 4.08Å; P450-W490 HydrophobicContact CG-CG 3.84Å; P450-W490 HydrophobicContact CG-CH2 4.42Å; P450-W490 HydrophobicContact CG-CZ2 3.95Å; P450-W490 HydrophobicContact CG-CZ3 4.46Å; S481-W490 WeakPolarHBondContact OG-CH2 3.09Å; S481-W490 VanDerWaalsContact OG-CZ3 3.23Å; S481-W490 WeakPolarHBondContact OG-CZ3 3.32Å; R484-W490 HydrophobicContact CB-CB 4.26Å; R484-W490 HydrophobicContact CB-CD2 3.8Å; R484-W490 HydrophobicContact CB-CE3 4.38Å; R484-W490 HydrophobicContact CB-CG 3.74Å; R484-W490 PolarHBondContact O-N 3.43Å; V485-W490 HydrophobicContact CG2-CB 3.94Å
491	P	85.9	Confident	90	Very high	28 Å²	28	24.1 Å²	24.1	18%	0.182	13%	0.133	C	C	.	.			trans	-77.7	159.2	178.7	31.4	-31.2	0	0	0	111.6	Y406 P428 F493	Y406-P491 HydrophobicContact CE1-CB 4.34Å; Y406-P491 HydrophobicContact CE1-CG 3.62Å; Y406-P491 WeakPolarHBondContact OH-CG 3.17Å; P428-P491 HydrophobicContact CB-CG 4.33Å; P491-F493 HydrophobicContact CG-CZ 4.46Å
492	L	87.3	Confident	89.4	Confident	9 Å²	9	31.7 Å²	31.7	5%	0.047	16%	0.16	C	C	.	.			trans	-78.9	140.9	171.3	-64.2	171	0	0	0	110.8	G429 S430 I433 T445 V485 L497	G429-L492 VanDerWaalsContact CA-O 3.32Å; G429-L492 WeakPolarHBondContact CA-O 3.4Å; G429-L492 PolarHBondContact N-O 2.98Å; S430-L492 PolarHBondContact N-O 3.18Å; I433-L492 HydrophobicContact CD1-CD1 4.39Å; I433-L492 HydrophobicContact CG1-CD1 3.55Å; I433-L492 HydrophobicContact CG1-CG 4.48Å; T445-L492 HydrophobicContact CG2-CD2 3.71Å; V485-L492 HydrophobicContact CG1-CD2 3.42Å; V485-L492 VanDerWaalsContact CG1-CD2 3.42Å; V485-L492 HydrophobicContact CG1-CG 4.49Å; L492-L497 HydrophobicContact CD1-CB 3.92Å; L492-L497 HydrophobicContact CD2-CB 4.15Å; L492-L497 HydrophobicContact CD2-CD2 4.35Å
493	F	84.8	Confident	88.8	Confident	15 Å²	15	34.7 Å²	34.7	7%	0.066	19%	0.191	C	C	.	.	S	Bend	trans	-106.3	8.8	176.3	-65.1	-86.9	0	0	0	113.3	L426 P428 S430 P446 A448 P491	L426-F493 HydrophobicContact CB-CB 4.24Å; L426-F493 HydrophobicContact CB-CD1 3.62Å; L426-F493 HydrophobicContact CB-CE1 4.21Å; L426-F493 HydrophobicContact CB-CG 4.18Å; L426-F493 HydrophobicContact CD2-CB 3.73Å; L426-F493 HydrophobicContact CD2-CG 4.35Å; P428-F493 HydrophobicContact CB-CE1 4.29Å; P428-F493 HydrophobicContact CG-CD1 4.41Å; P428-F493 HydrophobicContact CG-CE1 3.79Å; S430-F493 PolarHBondContact OG-O 2.91Å; P446-F493 HydrophobicContact CG-CB 4.21Å; A448-F493 HydrophobicContact CB-CD2 3.8Å; A448-F493 HydrophobicContact CB-CE2 3.97Å; A448-F493 HydrophobicContact CB-CG 4.37Å; P491-F493 HydrophobicContact CG-CZ 4.46Å
494	G	86.8	Confident	88.8	Confident	14 Å²	14	38.1 Å²	38.1	14%	0.144	21%	0.206	C	C	.	.	S	Bend	trans	159.2	177.3	179.7	0	0	0	0	0	110.5	S430	S430-G494 PolarHBondContact OG-N 3Å
495	G	90.7	Very high	88.8	Confident	25 Å²	25	35.4 Å²	35.4	26%	0.258	20%	0.198	S	C	.	.	S	Bend	trans	67.7	-172.9	176.4	0	0	0	0	0	115	G431 Q432 D443 H444	G431-G495 CarbonylContact C-O 3.52Å; G431-G495 WeakPolarHBondContact CA-O 3.43Å; Q432-G495 PolarHBondContact N-O 3.39Å; D443-G495 WeakPolarHBondContact O-CA 3.42Å; H444-G495 WeakPolarHBondContact O-CA 3.44Å
496	N	93.7	Very high	89	Confident	55 Å²	55	36.7 Å²	36.7	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.6	178.6	-59.5	-28.8	0	0	0	110.8	Q432 I434 D443 T445	Q432-N496 WeakPolarHBondContact O-CA 3.3Å; I434-N496 HydrophobicContact CD1-CB 4.31Å; D443-N496 HydrophobicContact CB-CB 4.2Å; D443-N496 PolarHBondContact N-O 3.22Å; D443-N496 PolarHBondContact O-N 3.29Å; T445-N496 PolarHBondContact OG1-O 2.99Å
497	L	94.7	Very high	89	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.3	171.3	175	59.6	0	0	0	109.2	Q432 I433 I434 F442 V485 L486 L492 K499	Q432-L497 PolarHBondContact O-N 3.16Å; I433-L497 CarbonylContact C-O 3.6Å; I433-L497 WeakPolarHBondContact CA-O 3.41Å; I434-L497 PolarHBondContact N-O 2.95Å; F442-L497 HydrophobicContact CD1-CD1 3.99Å; F442-L497 HydrophobicContact CD2-CD1 4.04Å; F442-L497 HydrophobicContact CE1-CD1 3.73Å; F442-L497 HydrophobicContact CE2-CD1 3.77Å; F442-L497 HydrophobicContact CG-CD1 4.15Å; F442-L497 HydrophobicContact CZ-CD1 3.61Å; V485-L497 HydrophobicContact CG1-CD2 4.38Å; L486-L497 HydrophobicContact CD1-CD1 4.06Å; L486-L497 HydrophobicContact CD1-CD2 4.48Å; L492-L497 HydrophobicContact CD1-CB 3.92Å; L492-L497 HydrophobicContact CD2-CB 4.15Å; L492-L497 HydrophobicContact CD2-CD2 4.35Å; L497-K499 HydrophobicContact CD2-CD 4.3Å
498	T	95.1	Very high	89.3	Confident	14 Å²	14	39.2 Å²	39.2	9%	0.086	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.6	170.1	-48.8	0	0	0	0	109.6	I434 R436 I439 I440 K441	I434-T498 HydrophobicContact CB-CG2 4.33Å; I434-T498 HydrophobicContact CG2-CG2 4.31Å; I434-T498 CarbonylContact O-C 3.58Å; I434-T498 VanDerWaalsContact O-CA 3.24Å; I434-T498 WeakPolarHBondContact O-CA 3.39Å; R436-T498 HydrophobicContact CB-CG2 3.58Å; I439-T498 HydrophobicContact CG2-CG2 3.85Å; I440-T498 CarbonylContact C-O 3.57Å; I440-T498 VanDerWaalsContact CA-O 3.31Å; I440-T498 WeakPolarHBondContact CA-O 3.31Å; K441-T498 PolarHBondContact N-O 3.08Å; K441-T498 PolarHBondContact O-N 3.03Å
499	K	94	Very high	89.5	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	165	176.8	68.4	177	-173	69.6	0	112.2	I433 I434 N435 R436 I439 L486 E488 L497	I433-K499 HydrophobicContact CG2-CG 4.43Å; I434-K499 PolarHBondContact O-N 2.75Å; N435-K499 CarbonylContact C-O 3.49Å; N435-K499 VanDerWaalsContact CA-O 3.26Å; N435-K499 WeakPolarHBondContact CA-O 3.38Å; R436-K499 PolarHBondContact N-O 2.88Å; R436-K499 CarbonylContact O-C 3.55Å; R436-K499 VanDerWaalsContact O-C 3.27Å; I439-K499 WeakPolarHBondContact O-CA 3.46Å; L486-K499 HydrophobicContact CD1-CB 4.19Å; L486-K499 HydrophobicContact CD1-CD 4.14Å; L486-K499 VanDerWaalsContact O-CD 3.27Å; L486-K499 WeakPolarHBondContact O-CD 3.49Å; L486-K499 WeakPolarHBondContact O-CE 3.49Å; E488-K499 WeakPolarHBondContact OE1-CE 3.37Å; E488-K499 IonicContact OE1-NZ 2.79Å; E488-K499 PolarHBondContact OE1-NZ 3.36Å; L497-K499 HydrophobicContact CD2-CD 4.3Å
500	P	92.2	Very high	89.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-63.3	160.9	174.3	-20	31.3	0	0	0	113.3	R436 K504 F591	R436-P500 WeakPolarHBondContact O-CA 3.35Å; P500-K504 HydrophobicContact CB-CB 3.91Å; P500-F591 HydrophobicContact CG-CD2 3.5Å; P500-F591 HydrophobicContact CG-CE2 3.67Å
501	E	87.3	Confident	89.6	Confident	109 Å²	109	50.9 Å²	50.9	51%	0.509	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-61.1	159.5	172.5	-70.4	-170.5	161	0	0	112.8	N435 G503 K504	N435-E501 HydrophobicContact CB-CG 4.06Å; E501-G503 PolarHBondContact O-N 3.29Å; E501-K504 PolarHBondContact O-N 3.22Å
502	R	77.7	Confident	89.8	Confident	170 Å²	170	50.7 Å²	50.7	64%	0.642	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	133.9	177.9	-66.5	-177.2	176.8	179.2	-0.6	110.2	E488	E488-R502 IonicContact OE1-NE 2.61Å; E488-R502 IonicContact OE2-CZ 3.83Å; E488-R502 IonicContact OE2-NE 2.87Å; E488-R502 PolarHBondContact OE2-NE 3.21Å; E488-R502 IonicContact OE2-NH2 2.62Å; E488-R502 PolarHBondContact OE2-NH2 3.24Å
503	G	81.1	Confident	90.1	Very high	63 Å²	63	55.5 Å²	55.5	65%	0.649	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.6	-24.4	-176.3	0	0	0	0	0	114.5	E501	E501-G503 PolarHBondContact O-N 3.29Å
504	K	89.2	Confident	90.5	Very high	74 Å²	74	55.1 Å²	55.1	32%	0.322	27%	0.27	S	S	.	.	S	Bend	trans	-89.4	-11.5	174.2	-64.2	179.9	-172.8	162.3	0	113.5	D437 P500 E501 P589 Q590 F591	D437-K504 WeakPolarHBondContact OD1-CD 3.3Å; D437-K504 IonicContact OD1-NZ 2.7Å; D437-K504 PolarHBondContact OD1-NZ 2.88Å; D437-K504 IonicContact OD2-NZ 2.78Å; D437-K504 PolarHBondContact OD2-NZ 3.32Å; P500-K504 HydrophobicContact CB-CB 3.91Å; E501-K504 PolarHBondContact O-N 3.22Å; K504-P589 WeakPolarHBondContact O-CB 3.42Å; K504-Q590 HydrophobicContact CB-CB 4.2Å; K504-Q590 WeakPolarHBondContact O-CA 3.33Å; K504-Q590 WeakPolarHBondContact O-CB 3.45Å; K504-Q590 PolarHBondContact O-N 3.01Å; K504-F591 PolarHBondContact O-N 2.88Å; K504-F591 VanDerWaalsContact O-N 3.08Å
505	L	91.7	Very high	90.8	Very high	29 Å²	29	55 Å²	55	15%	0.152	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.3	173.3	-178	71	0	0	0	108.3	I440 L486 F591 I593	I440-L505 HydrophobicContact CD1-CD1 4.27Å; L486-L505 HydrophobicContact CG-CD2 4.17Å; L505-F591 WeakPolarHBondContact CA-O 3.29Å; L505-F591 HydrophobicContact CD1-CB 3.46Å; L505-F591 VanDerWaalsContact CD1-CB 3.46Å; L505-I593 HydrophobicContact CD1-CD1 3.81Å; L505-I593 HydrophobicContact CD1-CG1 3.89Å; L505-I593 HydrophobicContact CD2-CD1 3.97Å; L505-I593 HydrophobicContact CG-CD1 4.03Å
506	F	93.6	Very high	90.9	Very high	34 Å²	34	61.2 Å²	61.2	15%	0.149	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.4	178.5	-157.7	-97.6	0	0	0	110.9	V508 R583 L584 H587 P589 F591 A592 I593	F506-V508 HydrophobicContact CD1-CG2 4.12Å; F506-V508 HydrophobicContact CE1-CG2 4.35Å; F506-R583 HydrophobicContact CE1-CG 4.29Å; F506-R583 HydrophobicContact CZ-CG 3.8Å; F506-L584 HydrophobicContact CB-CD1 3.89Å; F506-L584 HydrophobicContact CD1-CB 4.44Å; F506-L584 HydrophobicContact CD1-CD1 3.62Å; F506-L584 HydrophobicContact CG-CD1 4.05Å; F506-H587 HydrophobicContact CD2-CB 4.08Å; F506-H587 HydrophobicContact CE2-CB 4.12Å; F506-H587 AromaticContact CE2-CD2 3.27Å; F506-H587 WeakPolarHBondContact CE2-CD2 3.43Å; F506-H587 AromaticContact CE2-CG 3.73Å; F506-H587 AromaticContact CE2-NE2 3.94Å; F506-H587 AromaticContact CZ-CD2 3.6Å; F506-P589 HydrophobicContact CB-CB 3.73Å; F506-P589 HydrophobicContact CB-CG 3.55Å; F506-P589 HydrophobicContact CG-CG 4.49Å; F506-F591 PolarHBondContact N-O 3.17Å; F506-A592 WeakPolarHBondContact O-CA 3.35Å; F506-I593 PolarHBondContact O-N 3.47Å
507	Y	92.3	Very high	90.9	Very high	75 Å²	75	59.5 Å²	59.5	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.8	-178.5	-172.8	-96.7	0	0	0	110.7	F483 P509 I593 D595	F483-Y507 HydrophobicContact CB-CE2 3.65Å; F483-Y507 AromaticContact CD2-CE2 3.92Å; F483-Y507 HydrophobicContact CD2-CE2 3.92Å; F483-Y507 HydrophobicContact CG-CE2 4.1Å; Y507-P509 HydrophobicContact CD1-CB 4.17Å; Y507-P509 VanDerWaalsContact CE1-CA 3.5Å; Y507-P509 HydrophobicContact CE1-CB 3.68Å; Y507-I593 HydrophobicContact CD2-CB 3.6Å; Y507-I593 HydrophobicContact CD2-CD1 4.02Å; Y507-I593 HydrophobicContact CD2-CG1 4.44Å; Y507-I593 HydrophobicContact CD2-CG2 3.49Å; Y507-I593 VanDerWaalsContact CD2-CG2 3.49Å; Y507-I593 HydrophobicContact CE2-CB 4.11Å; Y507-I593 HydrophobicContact CE2-CG2 3.44Å; Y507-I593 VanDerWaalsContact CE2-CG2 3.44Å; Y507-D595 HydrophobicContact CE2-CB 4.38Å; Y507-D595 WeakPolarHBondContact OH-CB 3.35Å; Y507-D595 PolarHBondContact OH-OD2 2.82Å
508	V	93.6	Very high	90.9	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	104.7	172.5	-172.7	0	0	0	0	108.3	F506 A580 M581 L584 I593 L594 D595 C597	F506-V508 HydrophobicContact CD1-CG2 4.12Å; F506-V508 HydrophobicContact CE1-CG2 4.35Å; V508-A580 HydrophobicContact CG1-CB 3.84Å; V508-M581 HydrophobicContact CG1-SD 4.36Å; V508-L584 HydrophobicContact CG2-CB 4.38Å; V508-L584 HydrophobicContact CG2-CD1 4.42Å; V508-I593 PolarHBondContact N-O 3.37Å; V508-L594 HydrophobicContact CB-CD2 3.77Å; V508-L594 HydrophobicContact CG2-CD2 3.59Å; V508-D595 PolarHBondContact O-N 2.94Å; V508-C597 HydrophobicContact CB-CB 4.23Å; V508-C597 HydrophobicContact CG1-CB 3.5Å
509	P	91.3	Very high	90.9	Very high	43 Å²	43	59.2 Å²	59.2	28%	0.279	29%	0.286	S	S	.	.			trans	-72.3	156.8	-179.2	29.1	-34.2	0	0	0	112.2	Y507 R511	Y507-P509 HydrophobicContact CD1-CB 4.17Å; Y507-P509 VanDerWaalsContact CE1-CA 3.5Å; Y507-P509 HydrophobicContact CE1-CB 3.68Å; P509-R511 WeakPolarHBondContact CG-O 3.32Å; P509-R511 PolarHBondContact O-N 3.46Å
510	Q	89.1	Confident	91	Very high	86 Å²	86	59.7 Å²	59.7	40%	0.402	29%	0.288	S	S	.	.	S	Bend	trans	-53.6	-40.2	171.2	-175	-172.6	35.6	0	0	112.8	P512 D595 E596	Q510-P512 WeakPolarHBondContact O-CD 3.23Å; Q510-D595 WeakPolarHBondContact CA-O 3.29Å; Q510-D595 WeakPolarHBondContact CB-O 3.41Å; Q510-D595 PolarHBondContact N-O 3.47Å; Q510-E596 HydrophobicContact CG-CB 4.05Å; Q510-E596 PolarHBondContact NE2-OE2 3.25Å
511	R	88.7	Confident	91.2	Very high	217 Å²	217	61.8 Å²	61.8	82%	0.819	30%	0.299	S	S	*	.	S	Bend	trans	-105.3	97.9	173	-66.8	-174.4	-177.3	-169.2	-2.2	109.3	P509	P509-R511 WeakPolarHBondContact CG-O 3.32Å; P509-R511 PolarHBondContact O-N 3.46Å
512	P	91.3	Very high	91.6	Very high	24 Å²	24	56.6 Å²	56.6	16%	0.156	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-65.8	134.8	-177.5	28.2	-36.8	0	0	0	111.5	Q510 M514 K576 Q577 A580	Q510-P512 WeakPolarHBondContact O-CD 3.23Å; P512-M514 HydrophobicContact CB-CE 3.75Å; P512-M514 HydrophobicContact CG-CE 4.14Å; P512-K576 HydrophobicContact CG-CB 3.75Å; P512-K576 WeakPolarHBondContact CG-O 3.37Å; P512-Q577 HydrophobicContact CG-CG 4.34Å; P512-A580 HydrophobicContact CB-CB 3.74Å
513	Y	92.6	Very high	92.5	Very high	111 Å²	111	48.5 Å²	48.5	44%	0.435	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-80.8	123.4	174.8	173.7	-115.2	0	0	0	110.5	T515 Y525 R583	Y513-T515 HydrophobicContact CD1-CG2 4.2Å; Y513-T515 HydrophobicContact CE1-CG2 3.72Å; Y513-Y525 HydrophobicContact CD1-CE1 4.14Å; Y513-Y525 HydrophobicContact CE1-CE1 4.43Å; Y513-Y525 HydrophobicContact CE1-CE2 4.27Å; Y513-R583 PolarHBondContact O-NH1 2.86Å; Y513-R583 PolarHBondContact O-NH2 2.91Å
514	M	94.1	Very high	93.2	Very high	7 Å²	7	45.5 Å²	45.5	3%	0.034	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-93.9	129.1	169.6	-60.7	-59.3	110.6	0	0	109	P512 Q522 W567 L571 K576 M579	P512-M514 HydrophobicContact CB-CE 3.75Å; P512-M514 HydrophobicContact CG-CE 4.14Å; M514-Q522 VanDerWaalsContact CA-OE1 3.31Å; M514-W567 HydrophobicContact CB-CB 4.27Å; M514-L571 HydrophobicContact SD-CD1 3.89Å; M514-K576 HydrophobicContact CE-CB 3.99Å; M514-K576 HydrophobicContact CE-CG 4.3Å; M514-K576 HydrophobicContact CG-CG 4.22Å; M514-K576 HydrophobicContact SD-CB 4.47Å; M514-K576 HydrophobicContact SD-CG 4.19Å; M514-M579 HydrophobicContact SD-CG 4.33Å
515	T	93.3	Very high	93.5	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.067	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-77	152.3	-177.6	50.6	0	0	0	0	111	Y513 D521 Q522 Y525	Y513-T515 HydrophobicContact CD1-CG2 4.2Å; Y513-T515 HydrophobicContact CE1-CG2 3.72Å; T515-D521 PolarHBondContact OG1-O 3.41Å; T515-Q522 PolarHBondContact O-NE2 3.19Å; T515-Q522 VanDerWaalsContact OG1-CD 3.24Å; T515-Q522 PolarHBondContact OG1-NE2 3.16Å; T515-Q522 PolarHBondContact OG1-OE1 3.09Å; T515-Y525 HydrophobicContact CG2-CD1 4.16Å; T515-Y525 HydrophobicContact CG2-CD2 3.22Å; T515-Y525 HydrophobicContact CG2-CE2 3.89Å; T515-Y525 HydrophobicContact CG2-CG 3.39Å
516	L	92.4	Very high	93.5	Very high	156 Å²	156	48.7 Å²	48.7	82%	0.817	23%	0.232	S	C	*	.	S	Bend	trans	-74.9	125	164.1	-61.8	175.8	0	0	0	108.2
517	G	93.1	Very high	93.6	Very high	18 Å²	18	48.4 Å²	48.4	19%	0.186	23%	0.232	C	C	.	.	S	Bend	trans	139.1	-148.4	179.6	0	0	0	0	0	113.2	W567	G517-W567 PolarHBondContact O-NE1 3.29Å
518	S	95.6	Very high	93.7	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.063	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-80.8	170.1	-172.6	66.5	0	0	0	0	113.7	R520 D521 Q522 W561 V563	S518-R520 PolarHBondContact O-N 3.45Å; S518-D521 WeakPolarHBondContact CB-OD2 3.43Å; S518-D521 PolarHBondContact N-OD2 3.49Å; S518-D521 PolarHBondContact O-N 3.37Å; S518-D521 PolarHBondContact OG-N 2.9Å; S518-D521 PolarHBondContact OG-OD2 3.1Å; S518-Q522 PolarHBondContact O-N 3.38Å; S518-Q522 PolarHBondContact O-NE2 3.4Å; S518-W561 WeakPolarHBondContact CB-O 3.49Å; S518-V563 CarbonylContact C-O 3.57Å; S518-V563 WeakPolarHBondContact CA-O 3.39Å
519	L	95.9	Very high	93.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-39.2	169.9	-178.9	58	0	0	0	111	D521 Q522 I554 L555 W561 V563 W567 M579	L519-D521 VanDerWaalsContact C-N 3.32Å; L519-D521 PolarHBondContact O-N 2.96Å; L519-Q522 WeakPolarHBondContact O-CB 3.29Å; L519-Q522 PolarHBondContact O-N 3.09Å; L519-Q522 VanDerWaalsContact O-N 3.14Å; L519-I554 HydrophobicContact CD1-CG2 4.1Å; L519-I554 HydrophobicContact CD2-CG2 4.22Å; L519-L555 HydrophobicContact CD2-CB 4.3Å; L519-L555 HydrophobicContact CD2-CD1 3.91Å; L519-W561 HydrophobicContact CB-CE3 4.45Å; L519-W561 HydrophobicContact CD2-CE3 4.34Å; L519-W561 HydrophobicContact CG-CE3 4.07Å; L519-W561 HydrophobicContact CG-CZ3 4.16Å; L519-W561 PolarHBondContact N-O 3.33Å; L519-V563 PolarHBondContact N-O 3.18Å; L519-V563 VanDerWaalsContact N-O 3.09Å; L519-W567 HydrophobicContact CB-CH2 3.84Å; L519-W567 HydrophobicContact CB-CZ2 3.57Å; L519-W567 HydrophobicContact CD1-CE3 4.49Å; L519-W567 HydrophobicContact CD1-CH2 3.9Å; L519-W567 HydrophobicContact CD1-CZ2 4.21Å; L519-W567 HydrophobicContact CD1-CZ3 4.04Å; L519-W567 HydrophobicContact CG-CH2 4.28Å; L519-W567 HydrophobicContact CG-CZ2 4.43Å; L519-M579 HydrophobicContact CD1-CE 3.8Å
520	R	96	Very high	93.8	Very high	15 Å²	15	55.7 Å²	55.7	6%	0.057	27%	0.273	C	S	.	.	H	α-helix	trans	-55.6	-47.8	174.7	-179.6	-169.7	-63.3	-79.4	-4.2	111.3	S518 Q522 V523 I524 Q532 D539 L542 W561 D562	S518-R520 PolarHBondContact O-N 3.45Å; R520-Q522 PolarHBondContact O-N 3.46Å; R520-Q522 VanDerWaalsContact O-N 3.17Å; R520-V523 PolarHBondContact O-N 3.32Å; R520-I524 HydrophobicContact CG-CD1 4.01Å; R520-I524 HydrophobicContact CG-CG1 4.44Å; R520-I524 HydrophobicContact CG-CG2 4.31Å; R520-I524 WeakPolarHBondContact O-CG1 3.34Å; R520-I524 PolarHBondContact O-N 2.71Å; R520-Q532 VanDerWaalsContact NH1-NE2 3.15Å; R520-D539 IonicContact CZ-OD1 3.21Å; R520-D539 IonicContact CZ-OD2 3.21Å; R520-D539 IonicContact NH1-OD1 3.05Å; R520-D539 PolarHBondContact NH1-OD1 3.11Å; R520-D539 IonicContact NH1-OD2 3.91Å; R520-D539 VanDerWaalsContact NH2-CG 3.31Å; R520-D539 IonicContact NH2-OD1 2.75Å; R520-D539 PolarHBondContact NH2-OD1 3.41Å; R520-D539 IonicContact NH2-OD2 2.68Å; R520-D539 PolarHBondContact NH2-OD2 3.2Å; R520-L542 HydrophobicContact CG-CD1 4.36Å; R520-W561 HydrophobicContact CB-CB 4.25Å; R520-W561 HydrophobicContact CB-CE3 4.1Å; R520-W561 PolarHBondContact N-O 3.48Å; R520-D562 IonicContact CZ-OD1 2.8Å; R520-D562 IonicContact NE-OD1 3.72Å; R520-D562 PolarHBondContact NE-OD1 3.24Å; R520-D562 IonicContact NH2-OD1 2.61Å
521	D	96.1	Very high	94.1	Very high	44 Å²	44	54.3 Å²	54.3	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-30.5	-179.2	-62.3	-46.2	0	0	0	111.9	T515 S518 L519 V523 Y525	T515-D521 PolarHBondContact OG1-O 3.41Å; S518-D521 WeakPolarHBondContact CB-OD2 3.43Å; S518-D521 PolarHBondContact N-OD2 3.49Å; S518-D521 PolarHBondContact O-N 3.37Å; S518-D521 PolarHBondContact OG-N 2.9Å; S518-D521 PolarHBondContact OG-OD2 3.1Å; L519-D521 VanDerWaalsContact C-N 3.32Å; L519-D521 PolarHBondContact O-N 2.96Å; D521-V523 VanDerWaalsContact C-N 3.32Å; D521-V523 PolarHBondContact O-N 2.93Å; D521-Y525 VanDerWaalsContact O-CB 3.26Å; D521-Y525 WeakPolarHBondContact O-CB 3.49Å; D521-Y525 PolarHBondContact O-N 3.08Å
522	Q	95.6	Very high	94.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-37.9	176.6	-53.3	-49.6	-45.7	0	0	112.7	M514 T515 S518 L519 R520 W567 M579 R583	M514-Q522 VanDerWaalsContact CA-OE1 3.31Å; T515-Q522 PolarHBondContact O-NE2 3.19Å; T515-Q522 VanDerWaalsContact OG1-CD 3.24Å; T515-Q522 PolarHBondContact OG1-NE2 3.16Å; T515-Q522 PolarHBondContact OG1-OE1 3.09Å; S518-Q522 PolarHBondContact O-N 3.38Å; S518-Q522 PolarHBondContact O-NE2 3.4Å; L519-Q522 WeakPolarHBondContact O-CB 3.29Å; L519-Q522 PolarHBondContact O-N 3.09Å; L519-Q522 VanDerWaalsContact O-N 3.14Å; R520-Q522 PolarHBondContact O-N 3.46Å; R520-Q522 VanDerWaalsContact O-N 3.17Å; Q522-W567 HydrophobicContact CG-CB 4.44Å; Q522-W567 HydrophobicContact CG-CD2 4.32Å; Q522-W567 HydrophobicContact CG-CG 3.98Å; Q522-M579 HydrophobicContact CB-CE 4.34Å; Q522-M579 HydrophobicContact CB-CG 3.9Å; Q522-M579 HydrophobicContact CB-SD 3.78Å; Q522-R583 VanDerWaalsContact O-CZ 3.27Å; Q522-R583 PolarHBondContact O-NE 3.21Å; Q522-R583 PolarHBondContact O-NH2 3.49Å
523	V	95.9	Very high	94.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-84.8	-41.9	-176.7	-176.7	0	0	0	0	111.3	R520 D521 L542 L546 W561 M579 A582 R583	R520-V523 PolarHBondContact O-N 3.32Å; D521-V523 VanDerWaalsContact C-N 3.32Å; D521-V523 PolarHBondContact O-N 2.93Å; V523-L542 HydrophobicContact CG1-CD2 4.01Å; V523-L546 HydrophobicContact CG2-CD2 3.87Å; V523-L546 HydrophobicContact CG2-CG 4.33Å; V523-W561 HydrophobicContact CG2-CH2 4.42Å; V523-W561 HydrophobicContact CG2-CZ3 3.99Å; V523-M579 HydrophobicContact CG2-SD 3.63Å; V523-A582 HydrophobicContact CG1-CB 4.47Å; V523-R583 WeakPolarHBondContact O-CA 3.49Å; V523-R583 WeakPolarHBondContact O-CG 3.49Å
524	I	95.8	Very high	94.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-84.9	-18.5	-171.5	68.9	172.4	0	0	0	113.9	R520 D527 V529 Q532 L542 Y586 H587	R520-I524 HydrophobicContact CG-CD1 4.01Å; R520-I524 HydrophobicContact CG-CG1 4.44Å; R520-I524 HydrophobicContact CG-CG2 4.31Å; R520-I524 WeakPolarHBondContact O-CG1 3.34Å; R520-I524 PolarHBondContact O-N 2.71Å; I524-D527 WeakPolarHBondContact O-CB 3.44Å; I524-D527 PolarHBondContact O-N 2.81Å; I524-V529 HydrophobicContact CD1-CG2 4.11Å; I524-Q532 HydrophobicContact CD1-CB 4.34Å; I524-Q532 HydrophobicContact CG2-CB 4.46Å; I524-Q532 HydrophobicContact CG2-CG 4.13Å; I524-L542 HydrophobicContact CG2-CD1 4.17Å; I524-L542 HydrophobicContact CG2-CD2 3.98Å; I524-Y586 HydrophobicContact CB-CD1 4.46Å; I524-Y586 HydrophobicContact CB-CE1 3.94Å; I524-Y586 HydrophobicContact CB-CE2 4.33Å; I524-Y586 HydrophobicContact CG2-CD2 4.21Å; I524-Y586 HydrophobicContact CG2-CE1 4.28Å; I524-Y586 HydrophobicContact CG2-CE2 3.78Å; I524-Y586 WeakPolarHBondContact O-CE1 3.38Å; I524-H587 PolarHBondContact O-CE1 3.17Å; I524-H587 PolarHBondContact O-NE2 2.94Å
525	Y	95.1	Very high	94.4	Very high	95 Å²	95	59.8 Å²	59.8	37%	0.373	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	134.6	-178.2	-179.3	-93	0	0	0	112.7	Y513 T515 D521 R583 H587	Y513-Y525 HydrophobicContact CD1-CE1 4.14Å; Y513-Y525 HydrophobicContact CE1-CE1 4.43Å; Y513-Y525 HydrophobicContact CE1-CE2 4.27Å; T515-Y525 HydrophobicContact CG2-CD1 4.16Å; T515-Y525 HydrophobicContact CG2-CD2 3.22Å; T515-Y525 HydrophobicContact CG2-CE2 3.89Å; T515-Y525 HydrophobicContact CG2-CG 3.39Å; D521-Y525 VanDerWaalsContact O-CB 3.26Å; D521-Y525 WeakPolarHBondContact O-CB 3.49Å; D521-Y525 PolarHBondContact O-N 3.08Å; Y525-R583 WeakPolarHBondContact O-CD 3.41Å; Y525-R583 VanDerWaalsContact O-CG 3.24Å; Y525-R583 WeakPolarHBondContact O-CG 3.24Å; Y525-H587 PolarHBondContact O-NE2 3.42Å
526	P	93.1	Very high	94.3	Very high	76 Å²	76	62.4 Å²	62.4	49%	0.494	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.3	5.5	10.4	35.9	-38.4	0	0	0	116.5	H587	P526-H587 WeakPolarHBondContact CD-NE2 3.25Å
527	D	94.6	Very high	94.4	Very high	28 Å²	28	56.3 Å²	56.3	15%	0.15	28%	0.283	C	S	.	.	S	Bend	trans	-71.4	152.4	-179.7	-76.3	25.6	0	0	0	111.7	I524 E531 K535 Y586 H587	I524-D527 WeakPolarHBondContact O-CB 3.44Å; I524-D527 PolarHBondContact O-N 2.81Å; D527-E531 WeakPolarHBondContact CA-OE2 3.42Å; D527-E531 HydrophobicContact CB-CB 4.05Å; D527-K535 IonicContact OD1-NZ 3.03Å; D527-K535 WeakPolarHBondContact OD2-CD 3.42Å; D527-K535 WeakPolarHBondContact OD2-CE 3.19Å; D527-K535 IonicContact OD2-NZ 2.66Å; D527-K535 PolarHBondContact OD2-NZ 2.73Å; D527-Y586 HydrophobicContact CB-CE1 4.25Å; D527-Y586 PolarHBondContact OD2-OH 2.92Å; D527-H587 IonicContact OD1-CE1 2.93Å; D527-H587 PolarHBondContact OD1-CE1 3.35Å
528	T	94.2	Very high	94.4	Very high	71 Å²	71	58.2 Å²	58.2	44%	0.436	29%	0.293	S	S	.	.			trans	-87.7	166	168.1	79.5	0	0	0	0	111.8	E530 E531 Q532	T528-E530 PolarHBondContact O-N 3.15Å; T528-E530 PolarHBondContact OG1-N 2.97Å; T528-E531 PolarHBondContact N-OE2 3.44Å; T528-E531 VanDerWaalsContact N-OE2 3.14Å; T528-E531 WeakPolarHBondContact O-CA 3.47Å; T528-E531 WeakPolarHBondContact O-CB 3.2Å; T528-E531 PolarHBondContact O-N 3.5Å; T528-E531 WeakPolarHBondContact OG1-CG 3.46Å; T528-Q532 PolarHBondContact O-N 2.81Å
529	V	93.7	Very high	94.3	Very high	44 Å²	44	61 Å²	61	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-57	-34.5	175.3	-175.9	0	0	0	0	112.1	I524 E531 Q532 R533	I524-V529 HydrophobicContact CD1-CG2 4.11Å; V529-E531 VanDerWaalsContact C-N 3.32Å; V529-E531 PolarHBondContact O-N 3.35Å; V529-Q532 PolarHBondContact O-N 3.19Å; V529-R533 WeakPolarHBondContact O-CG 3.5Å; V529-R533 PolarHBondContact O-N 2.89Å
530	E	94.2	Very high	94.2	Very high	158 Å²	158	66.6 Å²	66.6	74%	0.738	33%	0.333	S	S	*	.	H	α-helix	trans	-65.4	-37.9	175.6	-62.6	-178.1	174.6	0	0	111.5	T528 R533 R534	T528-E530 PolarHBondContact O-N 3.15Å; T528-E530 PolarHBondContact OG1-N 2.97Å; E530-R533 PolarHBondContact O-N 3Å; E530-R534 WeakPolarHBondContact O-CB 3.26Å; E530-R534 PolarHBondContact O-N 3.27Å
531	E	94.1	Very high	94.1	Very high	57 Å²	57	68.1 Å²	68.1	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-73.3	-37.8	178.6	-55.4	-168.7	121.5	0	0	112	D527 T528 V529 R533 R534 K535	D527-E531 WeakPolarHBondContact CA-OE2 3.42Å; D527-E531 HydrophobicContact CB-CB 4.05Å; T528-E531 PolarHBondContact N-OE2 3.44Å; T528-E531 VanDerWaalsContact N-OE2 3.14Å; T528-E531 WeakPolarHBondContact O-CA 3.47Å; T528-E531 WeakPolarHBondContact O-CB 3.2Å; T528-E531 PolarHBondContact O-N 3.5Å; T528-E531 WeakPolarHBondContact OG1-CG 3.46Å; V529-E531 VanDerWaalsContact C-N 3.32Å; V529-E531 PolarHBondContact O-N 3.35Å; E531-R533 VanDerWaalsContact C-N 3.32Å; E531-R533 PolarHBondContact O-N 2.94Å; E531-R534 VanDerWaalsContact CD-NH2 3.29Å; E531-R534 WeakPolarHBondContact O-CB 3.1Å; E531-R534 PolarHBondContact O-N 3.27Å; E531-R534 IonicContact OE1-CZ 2.72Å; E531-R534 IonicContact OE1-NH2 3.87Å; E531-R534 PolarHBondContact OE1-NH2 3.03Å; E531-K535 WeakPolarHBondContact O-CG 3.29Å; E531-K535 PolarHBondContact O-N 3.48Å
532	Q	94.4	Very high	94	Very high	3 Å²	3	66 Å²	66	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-56	-47.8	169.8	-174.7	-152.1	-39.9	0	0	110.9	R520 I524 T528 V529 R534 K535 G536 I537 Y586	R520-Q532 VanDerWaalsContact NH1-NE2 3.15Å; I524-Q532 HydrophobicContact CD1-CB 4.34Å; I524-Q532 HydrophobicContact CG2-CB 4.46Å; I524-Q532 HydrophobicContact CG2-CG 4.13Å; T528-Q532 PolarHBondContact O-N 2.81Å; V529-Q532 PolarHBondContact O-N 3.19Å; Q532-R534 VanDerWaalsContact C-N 3.34Å; Q532-R534 PolarHBondContact O-N 3.11Å; Q532-K535 PolarHBondContact O-N 2.88Å; Q532-G536 PolarHBondContact O-N 2.95Å; Q532-I537 HydrophobicContact CG-CB 4.28Å; Q532-I537 PolarHBondContact NE2-O 2.93Å; Q532-I537 PolarHBondContact O-N 3.25Å; Q532-Y586 WeakPolarHBondContact CA-OH 3.29Å; Q532-Y586 HydrophobicContact CG-CE2 4.09Å
533	R	92.7	Very high	94	Very high	190 Å²	190	68.5 Å²	68.5	72%	0.717	34%	0.344	S	S	*	.	H	α-helix	trans	-63.1	-40.7	177.4	-72.2	175.5	-178.8	-175.7	1.6	111.7	V529 E530 E531 K535 G536	V529-R533 WeakPolarHBondContact O-CG 3.5Å; V529-R533 PolarHBondContact O-N 2.89Å; E530-R533 PolarHBondContact O-N 3Å; E531-R533 VanDerWaalsContact C-N 3.32Å; E531-R533 PolarHBondContact O-N 2.94Å; R533-K535 VanDerWaalsContact C-N 3.31Å; R533-K535 PolarHBondContact O-N 3.07Å; R533-G536 PolarHBondContact O-N 2.7Å
534	R	94.1	Very high	93.9	Very high	184 Å²	184	71.8 Å²	71.8	69%	0.694	36%	0.361	S	S	*	.	H	α-helix	trans	-63.7	-34.2	175.4	-177.4	-179.4	58.5	-164	-4	112.6	E530 E531 Q532 G536	E530-R534 WeakPolarHBondContact O-CB 3.26Å; E530-R534 PolarHBondContact O-N 3.27Å; E531-R534 VanDerWaalsContact CD-NH2 3.29Å; E531-R534 WeakPolarHBondContact O-CB 3.1Å; E531-R534 PolarHBondContact O-N 3.27Å; E531-R534 IonicContact OE1-CZ 2.72Å; E531-R534 IonicContact OE1-NH2 3.87Å; E531-R534 PolarHBondContact OE1-NH2 3.03Å; Q532-R534 VanDerWaalsContact C-N 3.34Å; Q532-R534 PolarHBondContact O-N 3.11Å; R534-G536 PolarHBondContact O-N 3.3Å
535	K	92.6	Very high	93.9	Very high	96 Å²	96	74 Å²	74	42%	0.417	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.3	172	-75	177.6	169.4	176.7	0	113.1	D527 E531 Q532 R533 I537	D527-K535 IonicContact OD1-NZ 3.03Å; D527-K535 WeakPolarHBondContact OD2-CD 3.42Å; D527-K535 WeakPolarHBondContact OD2-CE 3.19Å; D527-K535 IonicContact OD2-NZ 2.66Å; D527-K535 PolarHBondContact OD2-NZ 2.73Å; E531-K535 WeakPolarHBondContact O-CG 3.29Å; E531-K535 PolarHBondContact O-N 3.48Å; Q532-K535 PolarHBondContact O-N 2.88Å; R533-K535 VanDerWaalsContact C-N 3.31Å; R533-K535 PolarHBondContact O-N 3.07Å; K535-I537 VanDerWaalsContact C-N 3.27Å; K535-I537 HydrophobicContact CB-CD1 3.96Å; K535-I537 HydrophobicContact CB-CG1 4.04Å; K535-I537 HydrophobicContact CD-CD1 4.18Å; K535-I537 PolarHBondContact O-N 2.75Å
536	G	92.1	Very high	93.9	Very high	66 Å²	66	69.5 Å²	69.5	68%	0.68	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	18	-179.5	0	0	0	0	0	114.1	Q532 R533 R534 S538	Q532-G536 PolarHBondContact O-N 2.95Å; R533-G536 PolarHBondContact O-N 2.7Å; R534-G536 PolarHBondContact O-N 3.3Å; G536-S538 PolarHBondContact O-N 3.33Å
537	I	93.2	Very high	93.9	Very high	29 Å²	29	69.3 Å²	69.3	15%	0.149	35%	0.347	C	S	.	.			trans	-84.7	114.2	-178	-62.2	171.6	0	0	0	108.8	Q532 K535 V541 L542 Y586	Q532-I537 HydrophobicContact CG-CB 4.28Å; Q532-I537 PolarHBondContact NE2-O 2.93Å; Q532-I537 PolarHBondContact O-N 3.25Å; K535-I537 VanDerWaalsContact C-N 3.27Å; K535-I537 HydrophobicContact CB-CD1 3.96Å; K535-I537 HydrophobicContact CB-CG1 4.04Å; K535-I537 HydrophobicContact CD-CD1 4.18Å; K535-I537 PolarHBondContact O-N 2.75Å; I537-V541 HydrophobicContact CG2-CB 4.04Å; I537-V541 HydrophobicContact CG2-CG1 3.98Å; I537-L542 HydrophobicContact CG2-CD2 4Å; I537-L542 HydrophobicContact CG2-CG 4.15Å; I537-Y586 HydrophobicContact CB-CE2 4.32Å; I537-Y586 HydrophobicContact CD1-CD2 3.81Å; I537-Y586 HydrophobicContact CD1-CE2 3.37Å; I537-Y586 HydrophobicContact CG1-CE2 4.42Å; I537-Y586 HydrophobicContact CG2-CD2 4.35Å; I537-Y586 HydrophobicContact CG2-CE2 4.13Å
538	S	94.1	Very high	93.7	Very high	58 Å²	58	69.6 Å²	69.6	41%	0.406	35%	0.349	S	S	.	.			trans	-79.2	162.3	177.7	71	0	0	0	0	112	G536 Q540 V541 L542	G536-S538 PolarHBondContact O-N 3.33Å; S538-Q540 PolarHBondContact O-N 3.46Å; S538-V541 PolarHBondContact O-N 2.87Å; S538-V541 VanDerWaalsContact O-N 3.09Å; S538-V541 PolarHBondContact OG-N 3.24Å; S538-L542 PolarHBondContact O-N 3.01Å; S538-L542 VanDerWaalsContact O-N 3.1Å
539	D	93.6	Very high	93.7	Very high	67 Å²	67	66.2 Å²	66.2	36%	0.358	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-25.4	177.2	-69.4	5.3	0	0	0	112.5	R520 L542 K543	R520-D539 IonicContact CZ-OD1 3.21Å; R520-D539 IonicContact CZ-OD2 3.21Å; R520-D539 IonicContact NH1-OD1 3.05Å; R520-D539 PolarHBondContact NH1-OD1 3.11Å; R520-D539 IonicContact NH1-OD2 3.91Å; R520-D539 VanDerWaalsContact NH2-CG 3.31Å; R520-D539 IonicContact NH2-OD1 2.75Å; R520-D539 PolarHBondContact NH2-OD1 3.41Å; R520-D539 IonicContact NH2-OD2 2.68Å; R520-D539 PolarHBondContact NH2-OD2 3.2Å; D539-L542 PolarHBondContact O-N 3.08Å; D539-K543 PolarHBondContact O-N 3.17Å
540	Q	93.5	Very high	93.7	Very high	117 Å²	117	68.9 Å²	68.9	55%	0.547	34%	0.337	S	S	.	.	H	α-helix	trans	-65.5	-45	172.8	-172.9	59.5	45.5	0	0	110.8	S538 L542 K543 D544	S538-Q540 PolarHBondContact O-N 3.46Å; Q540-L542 VanDerWaalsContact C-N 3.3Å; Q540-L542 PolarHBondContact O-N 3.37Å; Q540-K543 WeakPolarHBondContact O-CA 3.48Å; Q540-K543 WeakPolarHBondContact O-CB 3.42Å; Q540-K543 PolarHBondContact O-N 3.29Å; Q540-K543 VanDerWaalsContact O-N 3.09Å; Q540-D544 PolarHBondContact NE2-OD1 2.99Å; Q540-D544 PolarHBondContact O-N 3.32Å
541	V	94	Very high	93.7	Very high	47 Å²	47	61.3 Å²	61.3	29%	0.285	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-36.7	177	178.3	0	0	0	0	111	I537 S538 K543 D544 Y545	I537-V541 HydrophobicContact CG2-CB 4.04Å; I537-V541 HydrophobicContact CG2-CG1 3.98Å; S538-V541 PolarHBondContact O-N 2.87Å; S538-V541 VanDerWaalsContact O-N 3.09Å; S538-V541 PolarHBondContact OG-N 3.24Å; V541-K543 VanDerWaalsContact C-N 3.31Å; V541-K543 PolarHBondContact O-N 2.84Å; V541-D544 PolarHBondContact O-N 3.23Å; V541-Y545 HydrophobicContact CG1-CD2 4.32Å; V541-Y545 HydrophobicContact CG1-CE1 4.41Å; V541-Y545 HydrophobicContact CG1-CE2 3.61Å; V541-Y545 VanDerWaalsContact O-CD2 3.31Å; V541-Y545 WeakPolarHBondContact O-CD2 3.34Å; V541-Y545 PolarHBondContact O-N 3.44Å
542	L	94.5	Very high	93.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-38.6	172.1	-68.9	-177.6	0	0	0	112.2	R520 V523 I524 I537 S538 D539 Q540 Y545 L546 W561 Y586	R520-L542 HydrophobicContact CG-CD1 4.36Å; V523-L542 HydrophobicContact CG1-CD2 4.01Å; I524-L542 HydrophobicContact CG2-CD1 4.17Å; I524-L542 HydrophobicContact CG2-CD2 3.98Å; I537-L542 HydrophobicContact CG2-CD2 4Å; I537-L542 HydrophobicContact CG2-CG 4.15Å; S538-L542 PolarHBondContact O-N 3.01Å; S538-L542 VanDerWaalsContact O-N 3.1Å; D539-L542 PolarHBondContact O-N 3.08Å; Q540-L542 VanDerWaalsContact C-N 3.3Å; Q540-L542 PolarHBondContact O-N 3.37Å; L542-Y545 HydrophobicContact CD2-CD2 4.27Å; L542-Y545 PolarHBondContact O-N 3.42Å; L542-L546 PolarHBondContact O-N 3.42Å; L542-L546 VanDerWaalsContact O-N 3.14Å; L542-W561 HydrophobicContact CB-CH2 3.63Å; L542-W561 HydrophobicContact CB-CZ2 3.56Å; L542-W561 HydrophobicContact CB-CZ3 4.41Å; L542-Y586 HydrophobicContact CD2-CD2 3.58Å; L542-Y586 HydrophobicContact CD2-CE2 3.95Å
543	K	95.1	Very high	93.5	Very high	52 Å²	52	62.9 Å²	62.9	23%	0.226	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-44.4	175	-172.9	173.4	-175.6	160.7	0	110.3	D539 Q540 V541 Y545 L546 D547 L555 D556 W561	D539-K543 PolarHBondContact O-N 3.17Å; Q540-K543 WeakPolarHBondContact O-CA 3.48Å; Q540-K543 WeakPolarHBondContact O-CB 3.42Å; Q540-K543 PolarHBondContact O-N 3.29Å; Q540-K543 VanDerWaalsContact O-N 3.09Å; V541-K543 VanDerWaalsContact C-N 3.31Å; V541-K543 PolarHBondContact O-N 2.84Å; K543-Y545 PolarHBondContact O-N 3.43Å; K543-L546 CarbonylContact O-C 3.42Å; K543-L546 WeakPolarHBondContact O-CA 3.42Å; K543-L546 WeakPolarHBondContact O-CB 3.46Å; K543-L546 PolarHBondContact O-N 3.38Å; K543-D547 PolarHBondContact O-N 3.1Å; K543-L555 HydrophobicContact CB-CD2 4.24Å; K543-L555 HydrophobicContact CD-CD2 3.93Å; K543-L555 HydrophobicContact CG-CD2 3.98Å; K543-D556 IonicContact NZ-OD1 3.5Å; K543-D556 PolarHBondContact NZ-OD1 3.4Å; K543-W561 HydrophobicContact CB-CZ2 4.26Å
544	D	94.1	Very high	93.5	Very high	69 Å²	69	53.8 Å²	53.8	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-37.5	176.6	-56.9	-18.9	0	0	0	111.4	Q540 V541 D547 N548	Q540-D544 PolarHBondContact NE2-OD1 2.99Å; Q540-D544 PolarHBondContact O-N 3.32Å; V541-D544 PolarHBondContact O-N 3.23Å; D544-D547 PolarHBondContact O-N 3.45Å; D544-N548 WeakPolarHBondContact O-CB 3.29Å; D544-N548 PolarHBondContact O-N 3.44Å; D544-N548 PolarHBondContact O-ND2 3.13Å
545	Y	94.6	Very high	93.5	Very high	48 Å²	48	45.8 Å²	45.8	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-37.9	173.4	-64.1	-40.1	0	0	0	113.6	V541 L542 K543 F585 Y586	V541-Y545 HydrophobicContact CG1-CD2 4.32Å; V541-Y545 HydrophobicContact CG1-CE1 4.41Å; V541-Y545 HydrophobicContact CG1-CE2 3.61Å; V541-Y545 VanDerWaalsContact O-CD2 3.31Å; V541-Y545 WeakPolarHBondContact O-CD2 3.34Å; V541-Y545 PolarHBondContact O-N 3.44Å; L542-Y545 HydrophobicContact CD2-CD2 4.27Å; L542-Y545 PolarHBondContact O-N 3.42Å; K543-Y545 PolarHBondContact O-N 3.43Å; Y545-F585 HydrophobicContact CD1-CB 3.76Å; Y545-F585 HydrophobicContact CE1-CB 4.21Å; Y545-F585 HydrophobicContact CG-CB 4.22Å; Y545-Y586 HydrophobicContact CE2-CD2 4.26Å
546	L	94.8	Very high	93.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-40.2	172.8	-74.2	-177	0	0	0	111.5	V523 L542 K543 N548 V549 Q550 L551 L555 W561 M579 A582	V523-L546 HydrophobicContact CG2-CD2 3.87Å; V523-L546 HydrophobicContact CG2-CG 4.33Å; L542-L546 PolarHBondContact O-N 3.42Å; L542-L546 VanDerWaalsContact O-N 3.14Å; K543-L546 CarbonylContact O-C 3.42Å; K543-L546 WeakPolarHBondContact O-CA 3.42Å; K543-L546 WeakPolarHBondContact O-CB 3.46Å; K543-L546 PolarHBondContact O-N 3.38Å; L546-N548 VanDerWaalsContact C-N 3.32Å; L546-N548 PolarHBondContact O-N 3.48Å; L546-V549 CarbonylContact O-C 3.48Å; L546-V549 WeakPolarHBondContact O-CG2 3.5Å; L546-V549 PolarHBondContact O-N 3.25Å; L546-V549 VanDerWaalsContact O-N 3.08Å; L546-Q550 PolarHBondContact O-N 3.3Å; L546-Q550 VanDerWaalsContact O-N 3.15Å; L546-L551 HydrophobicContact CB-CB 4.34Å; L546-L551 HydrophobicContact CD2-CB 4.01Å; L546-L551 HydrophobicContact CD2-CD1 4.44Å; L546-L551 PolarHBondContact O-N 2.96Å; L546-L555 HydrophobicContact CD1-CB 4.37Å; L546-W561 HydrophobicContact CD1-CH2 3.26Å; L546-W561 HydrophobicContact CD1-CZ2 4.05Å; L546-W561 HydrophobicContact CD1-CZ3 3.77Å; L546-W561 HydrophobicContact CG-CH2 3.85Å; L546-M579 HydrophobicContact CD2-CE 3.89Å; L546-M579 HydrophobicContact CD2-SD 3.95Å; L546-A582 HydrophobicContact CD2-CB 4.04Å
547	D	93.8	Very high	93.5	Very high	72 Å²	72	48.9 Å²	48.9	39%	0.385	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-39.4	178.2	-69.5	-21.8	0	0	0	111	K543 D544 V549 Q550 G552	K543-D547 PolarHBondContact O-N 3.1Å; D544-D547 PolarHBondContact O-N 3.45Å; D547-V549 PolarHBondContact O-N 3.17Å; D547-V549 VanDerWaalsContact O-N 3.14Å; D547-Q550 PolarHBondContact O-N 3.33Å; D547-G552 WeakPolarHBondContact OD1-CA 3.42Å
548	N	91.2	Very high	93.5	Very high	33 Å²	33	49.7 Å²	49.7	18%	0.176	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.8	172.9	-75.9	-36.1	0	0	0	114	D544 L546 F585 Y608	D544-N548 WeakPolarHBondContact O-CB 3.29Å; D544-N548 PolarHBondContact O-N 3.44Å; D544-N548 PolarHBondContact O-ND2 3.13Å; L546-N548 VanDerWaalsContact C-N 3.32Å; L546-N548 PolarHBondContact O-N 3.48Å; N548-F585 HydrophobicContact CB-CD2 4.43Å; N548-F585 HydrophobicContact CB-CE2 4.32Å; N548-Y608 HydrophobicContact CB-CE1 4.33Å; N548-Y608 VanDerWaalsContact O-CD1 3.32Å; N548-Y608 WeakPolarHBondContact O-CD1 3.41Å; N548-Y608 WeakPolarHBondContact O-CE1 3.46Å; N548-Y608 PolarHBondContact OD1-OH 2.94Å; N548-Y608 VanDerWaalsContact OD1-OH 3.05Å
549	V	93.2	Very high	93.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	17.7	173.1	-59.5	0	0	0	0	112.4	L546 D547 L551 R578 M581 A582 F585 I609	L546-V549 CarbonylContact O-C 3.48Å; L546-V549 WeakPolarHBondContact O-CG2 3.5Å; L546-V549 PolarHBondContact O-N 3.25Å; L546-V549 VanDerWaalsContact O-N 3.08Å; D547-V549 PolarHBondContact O-N 3.17Å; D547-V549 VanDerWaalsContact O-N 3.14Å; V549-L551 HydrophobicContact CG2-CB 3.95Å; V549-L551 HydrophobicContact CG2-CD1 3.85Å; V549-L551 HydrophobicContact CG2-CG 3.73Å; V549-L551 PolarHBondContact O-N 3.35Å; V549-R578 HydrophobicContact CB-CB 4.13Å; V549-R578 HydrophobicContact CG2-CB 4.41Å; V549-R578 WeakPolarHBondContact O-CD 3.34Å; V549-R578 PolarHBondContact O-NE 3.19Å; V549-M581 HydrophobicContact CG1-CB 3.9Å; V549-A582 HydrophobicContact CG1-CB 4.39Å; V549-A582 HydrophobicContact CG2-CB 3.79Å; V549-F585 HydrophobicContact CG1-CD2 3.9Å; V549-F585 HydrophobicContact CG1-CE2 3.49Å; V549-F585 VanDerWaalsContact CG1-CE2 3.49Å; V549-I609 HydrophobicContact CG1-CD1 4.34Å; V549-I609 HydrophobicContact CG1-CG1 4.38Å
550	Q	93	Very high	93.2	Very high	100 Å²	100	49.2 Å²	49.2	47%	0.467	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	32.7	-179.3	-56.1	-176.3	-9.3	0	0	114.1	L546 D547 H553	L546-Q550 PolarHBondContact O-N 3.3Å; L546-Q550 VanDerWaalsContact O-N 3.15Å; D547-Q550 PolarHBondContact O-N 3.33Å; Q550-H553 PolarHBondContact O-ND1 3.47Å
551	L	94.6	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.236	C	C	.	.			trans	-108.5	7.8	178	-65.1	-172.2	0	0	0	113.7	L546 V549 H553 I554 E575 R578 M579	L546-L551 HydrophobicContact CB-CB 4.34Å; L546-L551 HydrophobicContact CD2-CB 4.01Å; L546-L551 HydrophobicContact CD2-CD1 4.44Å; L546-L551 PolarHBondContact O-N 2.96Å; V549-L551 HydrophobicContact CG2-CB 3.95Å; V549-L551 HydrophobicContact CG2-CD1 3.85Å; V549-L551 HydrophobicContact CG2-CG 3.73Å; V549-L551 PolarHBondContact O-N 3.35Å; L551-H553 PolarHBondContact O-N 3.45Å; L551-H553 VanDerWaalsContact O-N 3.17Å; L551-I554 HydrophobicContact CB-CD1 4.17Å; L551-I554 HydrophobicContact CD1-CD1 4.31Å; L551-I554 HydrophobicContact CD2-CD1 3.8Å; L551-I554 HydrophobicContact CG-CD1 4.3Å; L551-I554 WeakPolarHBondContact O-CB 3.23Å; L551-I554 PolarHBondContact O-N 2.95Å; L551-E575 HydrophobicContact CD2-CB 4.22Å; L551-E575 HydrophobicContact CD2-CG 3.9Å; L551-R578 HydrophobicContact CD1-CB 3.75Å; L551-R578 HydrophobicContact CD2-CB 4.2Å; L551-R578 HydrophobicContact CG-CB 3.97Å; L551-M579 HydrophobicContact CD1-CB 4.08Å; L551-M579 HydrophobicContact CD1-CE 4.12Å
552	G	91.3	Very high	93.2	Very high	4 Å²	4	47.1 Å²	47.1	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-50.8	-39.4	176.8	0	0	0	0	0	114.3	D547 I554 L555 D556	D547-G552 WeakPolarHBondContact OD1-CA 3.42Å; G552-I554 PolarHBondContact O-N 3.03Å; G552-I554 VanDerWaalsContact O-N 3.12Å; G552-L555 PolarHBondContact O-N 3.33Å; G552-D556 PolarHBondContact O-N 3.31Å
553	H	93.1	Very high	93.2	Very high	88 Å²	88	48.7 Å²	48.7	41%	0.407	26%	0.258	S	S	.	.	H	α-helix	trans	-59.8	-23.9	178.9	72.7	-84.3	0	0	0	113.8	Q550 L551 D556 R557 E575	Q550-H553 PolarHBondContact O-ND1 3.47Å; L551-H553 PolarHBondContact O-N 3.45Å; L551-H553 VanDerWaalsContact O-N 3.17Å; H553-D556 PolarHBondContact O-N 3.03Å; H553-R557 WeakPolarHBondContact O-CB 3.34Å; H553-R557 PolarHBondContact O-N 3.47Å; H553-E575 IonicContact NE2-OE1 3.4Å
554	I	93.6	Very high	93.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-44.6	176.3	-61.3	-177.6	0	0	0	109.6	L519 L551 G552 D556 R557 E558 W567 L571 E575	L519-I554 HydrophobicContact CD1-CG2 4.1Å; L519-I554 HydrophobicContact CD2-CG2 4.22Å; L551-I554 HydrophobicContact CB-CD1 4.17Å; L551-I554 HydrophobicContact CD1-CD1 4.31Å; L551-I554 HydrophobicContact CD2-CD1 3.8Å; L551-I554 HydrophobicContact CG-CD1 4.3Å; L551-I554 WeakPolarHBondContact O-CB 3.23Å; L551-I554 PolarHBondContact O-N 2.95Å; G552-I554 PolarHBondContact O-N 3.03Å; G552-I554 VanDerWaalsContact O-N 3.12Å; I554-D556 VanDerWaalsContact C-N 3.29Å; I554-D556 PolarHBondContact O-N 3.36Å; I554-R557 PolarHBondContact O-N 3.49Å; I554-E558 HydrophobicContact CG2-CG 4.3Å; I554-E558 VanDerWaalsContact O-CG 3.25Å; I554-E558 WeakPolarHBondContact O-CG 3.49Å; I554-E558 PolarHBondContact O-N 3.1Å; I554-W567 HydrophobicContact CG2-CZ3 4.31Å; I554-L571 HydrophobicContact CD1-CD2 3.71Å; I554-E575 HydrophobicContact CD1-CG 4.38Å
555	L	93.6	Very high	93.1	Very high	15 Å²	15	52 Å²	52	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-39.5	176.3	-177.9	65.9	0	0	0	110.9	L519 K543 L546 G552 R557 G559 W561	L519-L555 HydrophobicContact CD2-CB 4.3Å; L519-L555 HydrophobicContact CD2-CD1 3.91Å; K543-L555 HydrophobicContact CB-CD2 4.24Å; K543-L555 HydrophobicContact CD-CD2 3.93Å; K543-L555 HydrophobicContact CG-CD2 3.98Å; L546-L555 HydrophobicContact CD1-CB 4.37Å; G552-L555 PolarHBondContact O-N 3.33Å; L555-R557 VanDerWaalsContact C-N 3.35Å; L555-G559 WeakPolarHBondContact O-CA 3.45Å; L555-G559 PolarHBondContact O-N 2.96Å; L555-W561 HydrophobicContact CD1-CD2 3.77Å; L555-W561 HydrophobicContact CD1-CE3 4.34Å; L555-W561 HydrophobicContact CD1-CG 3.89Å; L555-W561 HydrophobicContact CD1-CZ2 4.36Å; L555-W561 HydrophobicContact CD2-CD2 4.47Å; L555-W561 HydrophobicContact CD2-CZ2 3.7Å
556	D	92.2	Very high	93	Very high	106 Å²	106	53.9 Å²	53.9	57%	0.567	29%	0.291	S	S	*	.	H	α-helix	trans	-68.5	-34.3	177.8	-58.7	-31.3	0	0	0	112	K543 G552 H553 I554	K543-D556 IonicContact NZ-OD1 3.5Å; K543-D556 PolarHBondContact NZ-OD1 3.4Å; G552-D556 PolarHBondContact O-N 3.31Å; H553-D556 PolarHBondContact O-N 3.03Å; I554-D556 VanDerWaalsContact C-N 3.29Å; I554-D556 PolarHBondContact O-N 3.36Å
557	R	93.2	Very high	92.9	Very high	121 Å²	121	54 Å²	54	46%	0.457	29%	0.292	S	S	.	.	H	α-helix	trans	-67.9	-44.3	175.8	-175.5	-175.7	77.9	-166.6	5	112.4	H553 I554 L555 V570	H553-R557 WeakPolarHBondContact O-CB 3.34Å; H553-R557 PolarHBondContact O-N 3.47Å; I554-R557 PolarHBondContact O-N 3.49Å; L555-R557 VanDerWaalsContact C-N 3.35Å; R557-V570 VanDerWaalsContact NH2-CG1 3.34Å
558	E	92.4	Very high	92.7	Very high	46 Å²	46	55.2 Å²	55.2	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-87.6	-21.8	-175.4	-56.7	-64.2	152.9	0	0	112.3	I554 S560 V563 W567	I554-E558 HydrophobicContact CG2-CG 4.3Å; I554-E558 VanDerWaalsContact O-CG 3.25Å; I554-E558 WeakPolarHBondContact O-CG 3.49Å; I554-E558 PolarHBondContact O-N 3.1Å; E558-S560 VanDerWaalsContact C-N 3.25Å; E558-S560 PolarHBondContact O-N 3.12Å; E558-V563 HydrophobicContact CB-CG1 4.47Å; E558-V563 HydrophobicContact CB-CG2 4.39Å; E558-W567 HydrophobicContact CG-CH2 3.97Å; E558-W567 HydrophobicContact CG-CZ3 4.35Å
559	G	88.8	Confident	92.5	Very high	64 Å²	64	59.9 Å²	59.9	66%	0.66	32%	0.321	S	S	*	.			trans	80.4	-15.5	172.7	0	0	0	0	0	115.8	L555	L555-G559 WeakPolarHBondContact O-CA 3.45Å; L555-G559 PolarHBondContact O-N 2.96Å
560	S	92.8	Very high	92.4	Very high	51 Å²	51	62.5 Å²	62.5	36%	0.357	34%	0.337	S	S	.	.			trans	-152.1	151.2	178.6	173.8	0	0	0	0	113.1	E558 D562 V563	E558-S560 VanDerWaalsContact C-N 3.25Å; E558-S560 PolarHBondContact O-N 3.12Å; S560-D562 VanDerWaalsContact C-N 3.29Å; S560-D562 PolarHBondContact O-N 3.43Å; S560-D562 PolarHBondContact OG-N 2.61Å; S560-V563 WeakPolarHBondContact O-CG2 3.41Å
561	W	94.1	Very high	92.4	Very high	19 Å²	19	57.9 Å²	57.9	7%	0.072	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.7	174.9	-80	111	0	0	0	113.8	S518 L519 R520 V523 L542 K543 L546 L555 V563	S518-W561 WeakPolarHBondContact CB-O 3.49Å; L519-W561 HydrophobicContact CB-CE3 4.45Å; L519-W561 HydrophobicContact CD2-CE3 4.34Å; L519-W561 HydrophobicContact CG-CE3 4.07Å; L519-W561 HydrophobicContact CG-CZ3 4.16Å; L519-W561 PolarHBondContact N-O 3.33Å; R520-W561 HydrophobicContact CB-CB 4.25Å; R520-W561 HydrophobicContact CB-CE3 4.1Å; R520-W561 PolarHBondContact N-O 3.48Å; V523-W561 HydrophobicContact CG2-CH2 4.42Å; V523-W561 HydrophobicContact CG2-CZ3 3.99Å; L542-W561 HydrophobicContact CB-CH2 3.63Å; L542-W561 HydrophobicContact CB-CZ2 3.56Å; L542-W561 HydrophobicContact CB-CZ3 4.41Å; K543-W561 HydrophobicContact CB-CZ2 4.26Å; L546-W561 HydrophobicContact CD1-CH2 3.26Å; L546-W561 HydrophobicContact CD1-CZ2 4.05Å; L546-W561 HydrophobicContact CD1-CZ3 3.77Å; L546-W561 HydrophobicContact CG-CH2 3.85Å; L555-W561 HydrophobicContact CD1-CD2 3.77Å; L555-W561 HydrophobicContact CD1-CE3 4.34Å; L555-W561 HydrophobicContact CD1-CG 3.89Å; L555-W561 HydrophobicContact CD1-CZ2 4.36Å; L555-W561 HydrophobicContact CD2-CD2 4.47Å; L555-W561 HydrophobicContact CD2-CZ2 3.7Å; W561-V563 VanDerWaalsContact C-N 3.32Å
562	D	94.3	Very high	92.3	Very high	101 Å²	101	60.7 Å²	60.7	54%	0.54	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.2	-172.3	-55.1	-37.9	0	0	0	112.4	R520 S560 V564	R520-D562 IonicContact CZ-OD1 2.8Å; R520-D562 IonicContact NE-OD1 3.72Å; R520-D562 PolarHBondContact NE-OD1 3.24Å; R520-D562 IonicContact NH2-OD1 2.61Å; S560-D562 VanDerWaalsContact C-N 3.29Å; S560-D562 PolarHBondContact O-N 3.43Å; S560-D562 PolarHBondContact OG-N 2.61Å; D562-V564 PolarHBondContact O-N 2.83Å
563	V	94.1	Very high	92.2	Very high	34 Å²	34	62.7 Å²	62.7	21%	0.206	36%	0.356	C	S	.	.			trans	-66	128.4	175.1	173.1	0	0	0	0	109.7	S518 L519 E558 S560 W561 Q565 W567	S518-V563 CarbonylContact C-O 3.57Å; S518-V563 WeakPolarHBondContact CA-O 3.39Å; L519-V563 PolarHBondContact N-O 3.18Å; L519-V563 VanDerWaalsContact N-O 3.09Å; E558-V563 HydrophobicContact CB-CG1 4.47Å; E558-V563 HydrophobicContact CB-CG2 4.39Å; S560-V563 WeakPolarHBondContact O-CG2 3.41Å; W561-V563 VanDerWaalsContact C-N 3.32Å; V563-Q565 HydrophobicContact CG1-CG 3.88Å; V563-W567 WeakPolarHBondContact O-CZ2 3.46Å
564	V	94.8	Very high	92.2	Very high	98 Å²	98	58.9 Å²	58.9	59%	0.594	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-104.6	122.8	178.4	180	0	0	0	0	109.3	D562	D562-V564 PolarHBondContact O-N 2.83Å
565	Q	92.5	Very high	92.2	Very high	93 Å²	93	60 Å²	60	44%	0.435	35%	0.346	S	S	.	.			trans	-141.2	167	178.4	-68.9	-66.1	-13.8	0	0	110.1	V563 W567 V570	V563-Q565 HydrophobicContact CG1-CG 3.88Å; Q565-W567 HydrophobicContact CB-CD2 4.19Å; Q565-W567 HydrophobicContact CB-CH2 4.43Å; Q565-W567 HydrophobicContact CB-CZ2 4.1Å; Q565-W567 HydrophobicContact CG-CH2 4.44Å; Q565-W567 HydrophobicContact CG-CZ2 4.35Å; Q565-W567 PolarHBondContact O-N 3.02Å; Q565-V570 HydrophobicContact CB-CG2 4.27Å
566	D	90.9	Very high	92.3	Very high	86 Å²	86	61.5 Å²	61.5	46%	0.46	35%	0.352	S	S	.	.			trans	-77.8	80.7	164.1	-161.8	-21.9	0	0	0	109.9	M568 D569 V570	D566-M568 PolarHBondContact O-N 3.27Å; D566-M568 VanDerWaalsContact O-N 3.07Å; D566-M568 WeakPolarHBondContact OD1-CB 3.32Å; D566-M568 PolarHBondContact OD1-N 3.08Å; D566-D569 PolarHBondContact O-N 3.17Å; D566-V570 WeakPolarHBondContact O-CG2 3.5Å; D566-V570 PolarHBondContact O-N 3.19Å
567	W	93.6	Very high	92.5	Very high	2 Å²	2	57 Å²	57	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-18.6	-178.7	-59.8	104.8	0	0	0	113.3	M514 G517 L519 Q522 I554 E558 V563 Q565 D569 V570 L571	M514-W567 HydrophobicContact CB-CB 4.27Å; G517-W567 PolarHBondContact O-NE1 3.29Å; L519-W567 HydrophobicContact CB-CH2 3.84Å; L519-W567 HydrophobicContact CB-CZ2 3.57Å; L519-W567 HydrophobicContact CD1-CE3 4.49Å; L519-W567 HydrophobicContact CD1-CH2 3.9Å; L519-W567 HydrophobicContact CD1-CZ2 4.21Å; L519-W567 HydrophobicContact CD1-CZ3 4.04Å; L519-W567 HydrophobicContact CG-CH2 4.28Å; L519-W567 HydrophobicContact CG-CZ2 4.43Å; Q522-W567 HydrophobicContact CG-CB 4.44Å; Q522-W567 HydrophobicContact CG-CD2 4.32Å; Q522-W567 HydrophobicContact CG-CG 3.98Å; I554-W567 HydrophobicContact CG2-CZ3 4.31Å; E558-W567 HydrophobicContact CG-CH2 3.97Å; E558-W567 HydrophobicContact CG-CZ3 4.35Å; V563-W567 WeakPolarHBondContact O-CZ2 3.46Å; Q565-W567 HydrophobicContact CB-CD2 4.19Å; Q565-W567 HydrophobicContact CB-CH2 4.43Å; Q565-W567 HydrophobicContact CB-CZ2 4.1Å; Q565-W567 HydrophobicContact CG-CH2 4.44Å; Q565-W567 HydrophobicContact CG-CZ2 4.35Å; Q565-W567 PolarHBondContact O-N 3.02Å; W567-D569 VanDerWaalsContact C-N 3.33Å; W567-V570 HydrophobicContact CE3-CG1 4.35Å; W567-V570 HydrophobicContact CZ3-CG1 4.39Å; W567-L571 HydrophobicContact CB-CD1 4.26Å; W567-L571 HydrophobicContact CE3-CD1 4.3Å; W567-L571 HydrophobicContact CE3-CD2 4.18Å; W567-L571 HydrophobicContact CE3-CG 4.11Å; W567-L571 WeakPolarHBondContact O-CB 3.49Å; W567-L571 WeakPolarHBondContact O-CG 3.25Å; W567-L571 PolarHBondContact O-N 2.88Å
568	M	89.9	Confident	92.6	Very high	98 Å²	98	53 Å²	53	48%	0.483	31%	0.312	S	S	.	.	H	α-helix	trans	-68.7	-32.7	173.5	-172.4	167	-70	0	0	111.7	D566 K576	D566-M568 PolarHBondContact O-N 3.27Å; D566-M568 VanDerWaalsContact O-N 3.07Å; D566-M568 WeakPolarHBondContact OD1-CB 3.32Å; D566-M568 PolarHBondContact OD1-N 3.08Å; M568-K576 WeakPolarHBondContact O-CE 3.37Å; M568-K576 PolarHBondContact O-NZ 3.16Å
569	D	87.5	Confident	92.7	Very high	131 Å²	131	50.9 Å²	50.9	70%	0.701	30%	0.302	S	S	*	.	H	α-helix	trans	-98	-31.5	179.4	-69.6	-12.9	0	0	0	112.2	D566 W567	D566-D569 PolarHBondContact O-N 3.17Å; W567-D569 VanDerWaalsContact C-N 3.33Å
570	V	91	Very high	93.1	Very high	56 Å²	56	48 Å²	48	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-71.8	-34.8	-177.5	170.8	0	0	0	0	112.9	R557 Q565 D566 W567	R557-V570 VanDerWaalsContact NH2-CG1 3.34Å; Q565-V570 HydrophobicContact CB-CG2 4.27Å; D566-V570 WeakPolarHBondContact O-CG2 3.5Å; D566-V570 PolarHBondContact O-N 3.19Å; W567-V570 HydrophobicContact CE3-CG1 4.35Å; W567-V570 HydrophobicContact CZ3-CG1 4.39Å
571	L	92.5	Very high	93.2	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	26%	0.256	C	S	.	.	S	Bend	trans	-90.8	135.5	-177.7	-60.6	178.2	0	0	0	111.5	M514 I554 W567 E575 K576	M514-L571 HydrophobicContact SD-CD1 3.89Å; I554-L571 HydrophobicContact CD1-CD2 3.71Å; W567-L571 HydrophobicContact CB-CD1 4.26Å; W567-L571 HydrophobicContact CE3-CD1 4.3Å; W567-L571 HydrophobicContact CE3-CD2 4.18Å; W567-L571 HydrophobicContact CE3-CG 4.11Å; W567-L571 WeakPolarHBondContact O-CB 3.49Å; W567-L571 WeakPolarHBondContact O-CG 3.25Å; W567-L571 PolarHBondContact O-N 2.88Å; L571-E575 HydrophobicContact CB-CB 4.25Å; L571-E575 HydrophobicContact CD2-CB 4.35Å; L571-K576 HydrophobicContact CB-CG 3.66Å; L571-K576 HydrophobicContact CD1-CG 4.44Å; L571-K576 WeakPolarHBondContact O-CE 3.49Å; L571-K576 PolarHBondContact O-NZ 2.82Å
572	S	92.1	Very high	93.3	Very high	59 Å²	59	44.7 Å²	44.7	41%	0.413	25%	0.252	S	S	.	.			trans	-66	162.2	169.4	67.4	0	0	0	0	111.7	G574 E575 K576	S572-G574 VanDerWaalsContact C-N 3.31Å; S572-G574 PolarHBondContact O-N 3.29Å; S572-E575 VanDerWaalsContact CB-OE2 3.28Å; S572-E575 WeakPolarHBondContact CB-OE2 3.28Å; S572-E575 PolarHBondContact N-OE2 3.35Å; S572-E575 PolarHBondContact O-N 2.99Å; S572-E575 WeakPolarHBondContact OG-CB 3.39Å; S572-E575 WeakPolarHBondContact OG-CG 3.19Å; S572-E575 PolarHBondContact OG-N 2.83Å; S572-E575 PolarHBondContact OG-OE2 2.96Å; S572-K576 VanDerWaalsContact O-CG 3.3Å; S572-K576 WeakPolarHBondContact O-CG 3.16Å; S572-K576 PolarHBondContact O-N 2.79Å
573	G	89.9	Confident	93.3	Very high	45 Å²	45	40.7 Å²	40.7	46%	0.464	23%	0.229	S	C	.	.	H	α-helix	trans	-56	-42.3	179.1	0	0	0	0	0	113.7	K576 Q577	G573-K576 PolarHBondContact O-N 3.39Å; G573-Q577 PolarHBondContact O-N 2.85Å
574	G	92.4	Very high	93.4	Very high	9 Å²	9	39 Å²	39	9%	0.093	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-39.8	176.7	0	0	0	0	0	112.9	S572 Q577 R578 A600	S572-G574 VanDerWaalsContact C-N 3.31Å; S572-G574 PolarHBondContact O-N 3.29Å; G574-Q577 PolarHBondContact O-N 2.9Å; G574-R578 WeakPolarHBondContact O-CG 3.32Å; G574-R578 PolarHBondContact O-N 2.95Å; G574-A600 WeakPolarHBondContact CA-O 3.41Å
575	E	94.7	Very high	93.4	Very high	23 Å²	23	34.7 Å²	34.7	11%	0.107	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-40.6	175.2	-71.5	164.8	144.6	0	0	112	L551 H553 I554 L571 S572 Q577 R578 M579	L551-E575 HydrophobicContact CD2-CB 4.22Å; L551-E575 HydrophobicContact CD2-CG 3.9Å; H553-E575 IonicContact NE2-OE1 3.4Å; I554-E575 HydrophobicContact CD1-CG 4.38Å; L571-E575 HydrophobicContact CB-CB 4.25Å; L571-E575 HydrophobicContact CD2-CB 4.35Å; S572-E575 VanDerWaalsContact CB-OE2 3.28Å; S572-E575 WeakPolarHBondContact CB-OE2 3.28Å; S572-E575 PolarHBondContact N-OE2 3.35Å; S572-E575 PolarHBondContact O-N 2.99Å; S572-E575 WeakPolarHBondContact OG-CB 3.39Å; S572-E575 WeakPolarHBondContact OG-CG 3.19Å; S572-E575 PolarHBondContact OG-N 2.83Å; S572-E575 PolarHBondContact OG-OE2 2.96Å; E575-Q577 VanDerWaalsContact C-N 3.3Å; E575-Q577 PolarHBondContact O-N 3.22Å; E575-R578 PolarHBondContact O-N 3.25Å; E575-M579 VanDerWaalsContact O-CB 3.3Å; E575-M579 WeakPolarHBondContact O-CB 3.34Å; E575-M579 PolarHBondContact O-N 3.15Å
576	K	95.3	Very high	93.5	Very high	47 Å²	47	30.6 Å²	30.6	20%	0.204	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-41	175.5	-70.2	167.4	176.2	145	0	112.1	P512 M514 M568 L571 S572 G573 M579 A580	P512-K576 HydrophobicContact CG-CB 3.75Å; P512-K576 WeakPolarHBondContact CG-O 3.37Å; M514-K576 HydrophobicContact CE-CB 3.99Å; M514-K576 HydrophobicContact CE-CG 4.3Å; M514-K576 HydrophobicContact CG-CG 4.22Å; M514-K576 HydrophobicContact SD-CB 4.47Å; M514-K576 HydrophobicContact SD-CG 4.19Å; M568-K576 WeakPolarHBondContact O-CE 3.37Å; M568-K576 PolarHBondContact O-NZ 3.16Å; L571-K576 HydrophobicContact CB-CG 3.66Å; L571-K576 HydrophobicContact CD1-CG 4.44Å; L571-K576 WeakPolarHBondContact O-CE 3.49Å; L571-K576 PolarHBondContact O-NZ 2.82Å; S572-K576 VanDerWaalsContact O-CG 3.3Å; S572-K576 WeakPolarHBondContact O-CG 3.16Å; S572-K576 PolarHBondContact O-N 2.79Å; G573-K576 PolarHBondContact O-N 3.39Å; K576-M579 PolarHBondContact O-N 3.12Å; K576-A580 PolarHBondContact O-N 3.13Å; K576-A580 VanDerWaalsContact O-N 3.14Å
577	Q	95.2	Very high	93.7	Very high	11 Å²	11	28 Å²	28	5%	0.051	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-46.7	175.8	-83.5	-174.4	-9	0	0	111.7	P512 G573 G574 E575 M579 A580 M581 C597 S599 V601	P512-Q577 HydrophobicContact CG-CG 4.34Å; G573-Q577 PolarHBondContact O-N 2.85Å; G574-Q577 PolarHBondContact O-N 2.9Å; E575-Q577 VanDerWaalsContact C-N 3.3Å; E575-Q577 PolarHBondContact O-N 3.22Å; Q577-M579 VanDerWaalsContact C-N 3.32Å; Q577-M579 PolarHBondContact O-N 2.98Å; Q577-A580 WeakPolarHBondContact O-CB 3.37Å; Q577-A580 PolarHBondContact O-N 3.39Å; Q577-A580 VanDerWaalsContact O-N 3.15Å; Q577-M581 PolarHBondContact O-N 3.33Å; Q577-C597 WeakPolarHBondContact CB-O 3.44Å; Q577-C597 VanDerWaalsContact CG-O 3.23Å; Q577-C597 WeakPolarHBondContact CG-O 3.42Å; Q577-C597 PolarHBondContact OE1-O 3.39Å; Q577-S599 PolarHBondContact NE2-OG 3.19Å; Q577-V601 HydrophobicContact CB-CG2 4.05Å
578	R	95.3	Very high	93.7	Very high	38 Å²	38	34.1 Å²	34.1	14%	0.143	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-36.2	175.7	-70	-167.4	-51.5	-100.8	0.3	112.5	V549 L551 G574 E575 A580 M581 A582 V601 I609	V549-R578 HydrophobicContact CB-CB 4.13Å; V549-R578 HydrophobicContact CG2-CB 4.41Å; V549-R578 WeakPolarHBondContact O-CD 3.34Å; V549-R578 PolarHBondContact O-NE 3.19Å; L551-R578 HydrophobicContact CD1-CB 3.75Å; L551-R578 HydrophobicContact CD2-CB 4.2Å; L551-R578 HydrophobicContact CG-CB 3.97Å; G574-R578 WeakPolarHBondContact O-CG 3.32Å; G574-R578 PolarHBondContact O-N 2.95Å; E575-R578 PolarHBondContact O-N 3.25Å; R578-A580 VanDerWaalsContact C-N 3.31Å; R578-A580 PolarHBondContact O-N 3.02Å; R578-M581 WeakPolarHBondContact O-CA 3.27Å; R578-M581 WeakPolarHBondContact O-CB 3.26Å; R578-M581 PolarHBondContact O-N 3.36Å; R578-M581 VanDerWaalsContact O-N 3.07Å; R578-A582 PolarHBondContact O-N 3.4Å; R578-V601 HydrophobicContact CG-CG1 4.29Å; R578-V601 HydrophobicContact CG-CG2 3.87Å; R578-I609 HydrophobicContact CG-CD1 4.37Å
579	M	96.1	Very high	93.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-39.2	174	-175.6	60.2	72.7	0	0	111.6	M514 L519 Q522 V523 L546 L551 E575 K576 Q577 M581 A582 R583	M514-M579 HydrophobicContact SD-CG 4.33Å; L519-M579 HydrophobicContact CD1-CE 3.8Å; Q522-M579 HydrophobicContact CB-CE 4.34Å; Q522-M579 HydrophobicContact CB-CG 3.9Å; Q522-M579 HydrophobicContact CB-SD 3.78Å; V523-M579 HydrophobicContact CG2-SD 3.63Å; L546-M579 HydrophobicContact CD2-CE 3.89Å; L546-M579 HydrophobicContact CD2-SD 3.95Å; L551-M579 HydrophobicContact CD1-CB 4.08Å; L551-M579 HydrophobicContact CD1-CE 4.12Å; E575-M579 VanDerWaalsContact O-CB 3.3Å; E575-M579 WeakPolarHBondContact O-CB 3.34Å; E575-M579 PolarHBondContact O-N 3.15Å; K576-M579 PolarHBondContact O-N 3.12Å; Q577-M579 VanDerWaalsContact C-N 3.32Å; Q577-M579 PolarHBondContact O-N 2.98Å; M579-M581 VanDerWaalsContact C-N 3.27Å; M579-M581 PolarHBondContact O-N 2.69Å; M579-A582 WeakPolarHBondContact O-CB 3.37Å; M579-A582 PolarHBondContact O-N 3.44Å; M579-R583 PolarHBondContact O-N 3.48Å
580	A	95.6	Very high	94.2	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-30	174.2	0	0	0	0	0	112.7	V508 P512 K576 Q577 R578 R583 L584	V508-A580 HydrophobicContact CG1-CB 3.84Å; P512-A580 HydrophobicContact CB-CB 3.74Å; K576-A580 PolarHBondContact O-N 3.13Å; K576-A580 VanDerWaalsContact O-N 3.14Å; Q577-A580 WeakPolarHBondContact O-CB 3.37Å; Q577-A580 PolarHBondContact O-N 3.39Å; Q577-A580 VanDerWaalsContact O-N 3.15Å; R578-A580 VanDerWaalsContact C-N 3.31Å; R578-A580 PolarHBondContact O-N 3.02Å; A580-R583 WeakPolarHBondContact O-CB 3.43Å; A580-L584 PolarHBondContact O-N 2.83Å
581	M	95.3	Very high	94.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-73.5	-37.8	171.8	-61.6	-53.8	-70.5	0	0	112.4	V508 V549 Q577 R578 M579 R583 L584 F585 L594 I609	V508-M581 HydrophobicContact CG1-SD 4.36Å; V549-M581 HydrophobicContact CG1-CB 3.9Å; Q577-M581 PolarHBondContact O-N 3.33Å; R578-M581 WeakPolarHBondContact O-CA 3.27Å; R578-M581 WeakPolarHBondContact O-CB 3.26Å; R578-M581 PolarHBondContact O-N 3.36Å; R578-M581 VanDerWaalsContact O-N 3.07Å; M579-M581 VanDerWaalsContact C-N 3.27Å; M579-M581 PolarHBondContact O-N 2.69Å; M581-R583 VanDerWaalsContact C-N 3.25Å; M581-R583 PolarHBondContact O-N 3.01Å; M581-L584 HydrophobicContact CE-CD2 3.63Å; M581-L584 VanDerWaalsContact O-CB 3.31Å; M581-L584 WeakPolarHBondContact O-CB 3.39Å; M581-L584 PolarHBondContact O-N 3.44Å; M581-L584 VanDerWaalsContact O-N 3.09Å; M581-L584 HydrophobicContact SD-CD2 4.28Å; M581-F585 WeakPolarHBondContact O-CD2 3.2Å; M581-F585 WeakPolarHBondContact O-CG 3.3Å; M581-F585 PolarHBondContact O-N 3.36Å; M581-L594 HydrophobicContact CE-CD1 4.22Å; M581-L594 HydrophobicContact CE-CD2 4.21Å; M581-L594 HydrophobicContact SD-CD2 4.16Å; M581-I609 HydrophobicContact CB-CD1 4.49Å; M581-I609 HydrophobicContact CB-CG2 4.19Å; M581-I609 HydrophobicContact CE-CG2 3.28Å; M581-I609 HydrophobicContact CG-CD1 4.43Å; M581-I609 HydrophobicContact CG-CG2 4.02Å; M581-I609 HydrophobicContact SD-CG2 4.45Å
582	A	95.7	Very high	94.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.7	-41.8	170.9	0	0	0	0	0	111.2	V523 L546 V549 R578 M579 L584 F585 Y586	V523-A582 HydrophobicContact CG1-CB 4.47Å; L546-A582 HydrophobicContact CD2-CB 4.04Å; V549-A582 HydrophobicContact CG1-CB 4.39Å; V549-A582 HydrophobicContact CG2-CB 3.79Å; R578-A582 PolarHBondContact O-N 3.4Å; M579-A582 WeakPolarHBondContact O-CB 3.37Å; M579-A582 PolarHBondContact O-N 3.44Å; A582-L584 VanDerWaalsContact C-N 3.34Å; A582-L584 PolarHBondContact O-N 3.45Å; A582-F585 PolarHBondContact O-N 3.07Å; A582-Y586 PolarHBondContact O-N 2.88Å
583	R	95.9	Very high	94.7	Very high	16 Å²	16	19.7 Å²	19.7	6%	0.06	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-40.5	173.5	-173.8	-172.6	-63.1	162.6	1.6	112.1	F506 Y513 Q522 V523 Y525 M579 A580 M581 F585 Y586 H587	F506-R583 HydrophobicContact CE1-CG 4.29Å; F506-R583 HydrophobicContact CZ-CG 3.8Å; Y513-R583 PolarHBondContact O-NH1 2.86Å; Y513-R583 PolarHBondContact O-NH2 2.91Å; Q522-R583 VanDerWaalsContact O-CZ 3.27Å; Q522-R583 PolarHBondContact O-NE 3.21Å; Q522-R583 PolarHBondContact O-NH2 3.49Å; V523-R583 WeakPolarHBondContact O-CA 3.49Å; V523-R583 WeakPolarHBondContact O-CG 3.49Å; Y525-R583 WeakPolarHBondContact O-CD 3.41Å; Y525-R583 VanDerWaalsContact O-CG 3.24Å; Y525-R583 WeakPolarHBondContact O-CG 3.24Å; M579-R583 PolarHBondContact O-N 3.48Å; A580-R583 WeakPolarHBondContact O-CB 3.43Å; M581-R583 VanDerWaalsContact C-N 3.25Å; M581-R583 PolarHBondContact O-N 3.01Å; R583-F585 VanDerWaalsContact C-N 3.35Å; R583-F585 PolarHBondContact O-N 2.99Å; R583-Y586 PolarHBondContact O-N 3.41Å; R583-H587 PolarHBondContact O-CD2 2.98Å; R583-H587 PolarHBondContact O-N 2.97Å
584	L	95.4	Very high	94.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-44.4	173.5	178.7	70.5	0	0	0	111.7	F506 V508 A580 M581 A582 H587 K588 P589 A592 L594 I618	F506-L584 HydrophobicContact CB-CD1 3.89Å; F506-L584 HydrophobicContact CD1-CB 4.44Å; F506-L584 HydrophobicContact CD1-CD1 3.62Å; F506-L584 HydrophobicContact CG-CD1 4.05Å; V508-L584 HydrophobicContact CG2-CB 4.38Å; V508-L584 HydrophobicContact CG2-CD1 4.42Å; A580-L584 PolarHBondContact O-N 2.83Å; M581-L584 HydrophobicContact CE-CD2 3.63Å; M581-L584 VanDerWaalsContact O-CB 3.31Å; M581-L584 WeakPolarHBondContact O-CB 3.39Å; M581-L584 PolarHBondContact O-N 3.44Å; M581-L584 VanDerWaalsContact O-N 3.09Å; M581-L584 HydrophobicContact SD-CD2 4.28Å; A582-L584 VanDerWaalsContact C-N 3.34Å; A582-L584 PolarHBondContact O-N 3.45Å; L584-H587 PolarHBondContact O-N 3.03Å; L584-K588 PolarHBondContact O-N 2.95Å; L584-P589 HydrophobicContact CD1-CG 3.55Å; L584-P589 WeakPolarHBondContact O-CD 3.34Å; L584-A592 HydrophobicContact CD1-CB 3.65Å; L584-A592 HydrophobicContact CD2-CB 3.97Å; L584-A592 HydrophobicContact CG-CB 4.43Å; L584-L594 HydrophobicContact CD2-CD2 4.03Å; L584-I618 HydrophobicContact CG-CD1 4.48Å
585	F	94.9	Very high	94.9	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.026	8%	0.078	C	C	.	.	H	α-helix	trans	-65.2	-38.7	179	-63.2	-38.5	0	0	0	113	Y545 N548 V549 M581 A582 R583 H587 K588 I609 H612 C613 I618	Y545-F585 HydrophobicContact CD1-CB 3.76Å; Y545-F585 HydrophobicContact CE1-CB 4.21Å; Y545-F585 HydrophobicContact CG-CB 4.22Å; N548-F585 HydrophobicContact CB-CD2 4.43Å; N548-F585 HydrophobicContact CB-CE2 4.32Å; V549-F585 HydrophobicContact CG1-CD2 3.9Å; V549-F585 HydrophobicContact CG1-CE2 3.49Å; V549-F585 VanDerWaalsContact CG1-CE2 3.49Å; M581-F585 WeakPolarHBondContact O-CD2 3.2Å; M581-F585 WeakPolarHBondContact O-CG 3.3Å; M581-F585 PolarHBondContact O-N 3.36Å; A582-F585 PolarHBondContact O-N 3.07Å; R583-F585 VanDerWaalsContact C-N 3.35Å; R583-F585 PolarHBondContact O-N 2.99Å; F585-H587 VanDerWaalsContact C-N 3.33Å; F585-H587 PolarHBondContact O-N 3.11Å; F585-K588 PolarHBondContact O-N 2.98Å; F585-I609 HydrophobicContact CZ-CG2 4.08Å; F585-H612 AromaticContact CE1-CD2 3.65Å; F585-H612 HydrophobicContact CZ-CB 4.33Å; F585-H612 AromaticContact CZ-CD2 3.73Å; F585-C613 VanDerWaalsContact CE1-SG 3.51Å; F585-I618 HydrophobicContact CD1-CD1 4.46Å
586	Y	95.1	Very high	94.7	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.027	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-42.9	174.3	170.6	-98.2	0	0	0	112.6	I524 D527 Q532 I537 L542 Y545 A582 R583	I524-Y586 HydrophobicContact CB-CD1 4.46Å; I524-Y586 HydrophobicContact CB-CE1 3.94Å; I524-Y586 HydrophobicContact CB-CE2 4.33Å; I524-Y586 HydrophobicContact CG2-CD2 4.21Å; I524-Y586 HydrophobicContact CG2-CE1 4.28Å; I524-Y586 HydrophobicContact CG2-CE2 3.78Å; I524-Y586 WeakPolarHBondContact O-CE1 3.38Å; D527-Y586 HydrophobicContact CB-CE1 4.25Å; D527-Y586 PolarHBondContact OD2-OH 2.92Å; Q532-Y586 WeakPolarHBondContact CA-OH 3.29Å; Q532-Y586 HydrophobicContact CG-CE2 4.09Å; I537-Y586 HydrophobicContact CB-CE2 4.32Å; I537-Y586 HydrophobicContact CD1-CD2 3.81Å; I537-Y586 HydrophobicContact CD1-CE2 3.37Å; I537-Y586 HydrophobicContact CG1-CE2 4.42Å; I537-Y586 HydrophobicContact CG2-CD2 4.35Å; I537-Y586 HydrophobicContact CG2-CE2 4.13Å; L542-Y586 HydrophobicContact CD2-CD2 3.58Å; L542-Y586 HydrophobicContact CD2-CE2 3.95Å; Y545-Y586 HydrophobicContact CE2-CD2 4.26Å; A582-Y586 PolarHBondContact O-N 2.88Å; R583-Y586 PolarHBondContact O-N 3.41Å
587	H	94	Very high	94.4	Very high	33 Å²	33	16.2 Å²	16.2	15%	0.153	7%	0.073	C	C	.	.	H	α-helix	trans	-81	-23.4	-178	-74	-66	0	0	0	114.2	F506 I524 Y525 P526 D527 R583 L584 F585	F506-H587 HydrophobicContact CD2-CB 4.08Å; F506-H587 HydrophobicContact CE2-CB 4.12Å; F506-H587 AromaticContact CE2-CD2 3.27Å; F506-H587 WeakPolarHBondContact CE2-CD2 3.43Å; F506-H587 AromaticContact CE2-CG 3.73Å; F506-H587 AromaticContact CE2-NE2 3.94Å; F506-H587 AromaticContact CZ-CD2 3.6Å; I524-H587 PolarHBondContact O-CE1 3.17Å; I524-H587 PolarHBondContact O-NE2 2.94Å; Y525-H587 PolarHBondContact O-NE2 3.42Å; P526-H587 WeakPolarHBondContact CD-NE2 3.25Å; D527-H587 IonicContact OD1-CE1 2.93Å; D527-H587 PolarHBondContact OD1-CE1 3.35Å; R583-H587 PolarHBondContact O-CD2 2.98Å; R583-H587 PolarHBondContact O-N 2.97Å; L584-H587 PolarHBondContact O-N 3.03Å; F585-H587 VanDerWaalsContact C-N 3.33Å; F585-H587 PolarHBondContact O-N 3.11Å
588	K	93.1	Very high	94.2	Very high	130 Å²	130	15.8 Å²	15.8	57%	0.565	7%	0.071	S	C	*	.			trans	43	58.7	179.8	-166.1	177.6	173.3	172.6	0	112.8	L584 F585 V616	L584-K588 PolarHBondContact O-N 2.95Å; F585-K588 PolarHBondContact O-N 2.98Å; K588-V616 HydrophobicContact CD-CG1 3.88Å; K588-V616 HydrophobicContact CG-CG1 3.83Å
589	P	95	Very high	93.9	Very high	7 Å²	7	17.4 Å²	17.4	5%	0.045	9%	0.088	C	C	.	.			trans	-70.5	165	-178.9	35.2	-40.7	0	0	0	111.5	K504 F506 L584 I618	K504-P589 WeakPolarHBondContact O-CB 3.42Å; F506-P589 HydrophobicContact CB-CB 3.73Å; F506-P589 HydrophobicContact CB-CG 3.55Å; F506-P589 HydrophobicContact CG-CG 4.49Å; L584-P589 HydrophobicContact CD1-CG 3.55Å; L584-P589 WeakPolarHBondContact O-CD 3.34Å; P589-I618 HydrophobicContact CG-CG2 4.28Å
590	Q	94.2	Very high	93.5	Very high	33 Å²	33	20.2 Å²	20.2	15%	0.154	11%	0.111	C	C	.	.	S	Bend	trans	-71.5	-43.5	172	-178.1	170.6	33.4	0	0	112.2	N438 S465 K504 T619	N438-Q590 VanDerWaalsContact N-OE1 3.09Å; N438-Q590 PolarHBondContact OD1-NE2 2.96Å; S465-Q590 PolarHBondContact OG-NE2 2.98Å; S465-Q590 VanDerWaalsContact OG-NE2 3.08Å; K504-Q590 HydrophobicContact CB-CB 4.2Å; K504-Q590 WeakPolarHBondContact O-CA 3.33Å; K504-Q590 WeakPolarHBondContact O-CB 3.45Å; K504-Q590 PolarHBondContact O-N 3.01Å; Q590-T619 WeakPolarHBondContact O-CB 3.45Å; Q590-T619 PolarHBondContact O-N 3.36Å; Q590-T619 PolarHBondContact O-OG1 3.01Å
591	F	95.3	Very high	93.2	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135	177.3	-70.6	-93.5	0	0	0	109.5	I440 V463 P500 K504 L505 F506 T619	I440-F591 HydrophobicContact CD1-CB 4.13Å; I440-F591 HydrophobicContact CD1-CD1 3.46Å; I440-F591 VanDerWaalsContact CD1-CD1 3.46Å; I440-F591 HydrophobicContact CD1-CD2 4.29Å; I440-F591 HydrophobicContact CD1-CE1 3.84Å; I440-F591 HydrophobicContact CD1-CG 3.72Å; I440-F591 HydrophobicContact CD1-CZ 4.38Å; I440-F591 HydrophobicContact CG1-CD1 4.12Å; I440-F591 HydrophobicContact CG1-CD2 4.45Å; I440-F591 HydrophobicContact CG1-CE1 4.02Å; I440-F591 HydrophobicContact CG1-CE2 4.35Å; I440-F591 HydrophobicContact CG1-CG 4.33Å; I440-F591 HydrophobicContact CG1-CZ 4.14Å; V463-F591 HydrophobicContact CG1-CE1 4.35Å; P500-F591 HydrophobicContact CG-CD2 3.5Å; P500-F591 HydrophobicContact CG-CE2 3.67Å; K504-F591 PolarHBondContact O-N 2.88Å; K504-F591 VanDerWaalsContact O-N 3.08Å; L505-F591 WeakPolarHBondContact CA-O 3.29Å; L505-F591 HydrophobicContact CD1-CB 3.46Å; L505-F591 VanDerWaalsContact CD1-CB 3.46Å; F506-F591 PolarHBondContact N-O 3.17Å; F591-T619 CarbonylContact C-O 3.54Å; F591-T619 WeakPolarHBondContact CA-O 3.48Å; F591-T619 HydrophobicContact CD1-CG2 3.68Å; F591-T619 HydrophobicContact CE1-CG2 3.59Å
592	A	95.4	Very high	93	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.8	172.2	0	0	0	0	0	109.3	F506 L584 L594 I618 T619 L620 F621	F506-A592 WeakPolarHBondContact O-CA 3.35Å; L584-A592 HydrophobicContact CD1-CB 3.65Å; L584-A592 HydrophobicContact CD2-CB 3.97Å; L584-A592 HydrophobicContact CG-CB 4.43Å; A592-L594 HydrophobicContact CB-CD2 4.19Å; A592-L594 HydrophobicContact CB-CG 4.43Å; A592-I618 HydrophobicContact CB-CG2 3.58Å; A592-T619 PolarHBondContact N-O 3.35Å; A592-L620 HydrophobicContact CB-CD2 4.06Å; A592-F621 PolarHBondContact O-N 2.96Å
593	I	94.5	Very high	92.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.5	170.6	-57.6	164.9	0	0	0	107.5	F483 L486 L505 F506 Y507 V508 F621	F483-I593 HydrophobicContact CB-CG2 4.12Å; F483-I593 HydrophobicContact CD1-CG2 3.61Å; F483-I593 HydrophobicContact CD2-CG2 3.38Å; F483-I593 HydrophobicContact CE1-CG2 3.7Å; F483-I593 HydrophobicContact CE2-CG2 3.41Å; F483-I593 VanDerWaalsContact CE2-CG2 3.41Å; F483-I593 HydrophobicContact CG-CG2 3.45Å; F483-I593 VanDerWaalsContact CG-CG2 3.45Å; F483-I593 HydrophobicContact CZ-CG2 3.58Å; L486-I593 HydrophobicContact CB-CD1 4.45Å; L486-I593 HydrophobicContact CD2-CD1 3.45Å; L486-I593 VanDerWaalsContact CD2-CD1 3.45Å; L486-I593 HydrophobicContact CD2-CG1 4.02Å; L486-I593 HydrophobicContact CG-CD1 3.88Å; L505-I593 HydrophobicContact CD1-CD1 3.81Å; L505-I593 HydrophobicContact CD1-CG1 3.89Å; L505-I593 HydrophobicContact CD2-CD1 3.97Å; L505-I593 HydrophobicContact CG-CD1 4.03Å; F506-I593 PolarHBondContact O-N 3.47Å; Y507-I593 HydrophobicContact CD2-CB 3.6Å; Y507-I593 HydrophobicContact CD2-CD1 4.02Å; Y507-I593 HydrophobicContact CD2-CG1 4.44Å; Y507-I593 HydrophobicContact CD2-CG2 3.49Å; Y507-I593 VanDerWaalsContact CD2-CG2 3.49Å; Y507-I593 HydrophobicContact CE2-CB 4.11Å; Y507-I593 HydrophobicContact CE2-CG2 3.44Å; Y507-I593 VanDerWaalsContact CE2-CG2 3.44Å; V508-I593 PolarHBondContact N-O 3.37Å; I593-F621 CarbonylContact C-O 3.52Å; I593-F621 WeakPolarHBondContact CA-O 3.36Å
594	L	94.4	Very high	92.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	103.4	-173.8	-59	-174.4	0	0	0	109.1	V508 M581 L584 A592 Y610 L620 F621 T622 V623	V508-L594 HydrophobicContact CB-CD2 3.77Å; V508-L594 HydrophobicContact CG2-CD2 3.59Å; M581-L594 HydrophobicContact CE-CD1 4.22Å; M581-L594 HydrophobicContact CE-CD2 4.21Å; M581-L594 HydrophobicContact SD-CD2 4.16Å; L584-L594 HydrophobicContact CD2-CD2 4.03Å; A592-L594 HydrophobicContact CB-CD2 4.19Å; A592-L594 HydrophobicContact CB-CG 4.43Å; L594-Y610 HydrophobicContact CD1-CE1 3.71Å; L594-Y610 HydrophobicContact CD1-CE2 4.43Å; L594-L620 HydrophobicContact CD1-CD2 3.94Å; L594-F621 PolarHBondContact N-O 3.25Å; L594-T622 HydrophobicContact CB-CG2 4.13Å; L594-T622 CarbonylContact O-C 3.34Å; L594-T622 WeakPolarHBondContact O-CA 3.41Å; L594-V623 PolarHBondContact O-N 3.38Å
595	D	92.6	Very high	92.1	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	91.6	-177.2	-172.2	26.1	0	0	0	109.9	F483 Y507 V508 Q510 C597	F483-D595 HydrophobicContact CD2-CB 4.21Å; F483-D595 HydrophobicContact CE2-CB 4.31Å; Y507-D595 HydrophobicContact CE2-CB 4.38Å; Y507-D595 WeakPolarHBondContact OH-CB 3.35Å; Y507-D595 PolarHBondContact OH-OD2 2.82Å; V508-D595 PolarHBondContact O-N 2.94Å; Q510-D595 WeakPolarHBondContact CA-O 3.29Å; Q510-D595 WeakPolarHBondContact CB-O 3.41Å; Q510-D595 PolarHBondContact N-O 3.47Å; D595-C597 PolarHBondContact O-N 3.03Å
596	E	90	Very high	92	Very high	41 Å²	41	30.3 Å²	30.3	19%	0.192	17%	0.173	C	C	.	.	S	Bend	trans	48.9	34.6	-178.5	-62.9	-175.4	-173.8	0	0	114.4	Q510 T598 S599 V623 H625	Q510-E596 HydrophobicContact CG-CB 4.05Å; Q510-E596 PolarHBondContact NE2-OE2 3.25Å; E596-T598 PolarHBondContact O-N 3.35Å; E596-T598 VanDerWaalsContact O-N 3.15Å; E596-S599 PolarHBondContact O-N 3.35Å; E596-S599 PolarHBondContact O-OG 3.21Å; E596-V623 WeakPolarHBondContact CA-O 3.44Å; E596-V623 HydrophobicContact CG-CG1 4.07Å; E596-V623 PolarHBondContact N-O 3.23Å; E596-H625 IonicContact OE1-CD2 2.94Å; E596-H625 PolarHBondContact OE1-CD2 3.44Å; E596-H625 IonicContact OE1-NE2 2.72Å
597	C	89.8	Confident	91.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.4	-168.4	68.2	0	0	0	0	114.8	V508 Q577 D595	V508-C597 HydrophobicContact CB-CB 4.23Å; V508-C597 HydrophobicContact CG1-CB 3.5Å; Q577-C597 WeakPolarHBondContact CB-O 3.44Å; Q577-C597 VanDerWaalsContact CG-O 3.23Å; Q577-C597 WeakPolarHBondContact CG-O 3.42Å; Q577-C597 PolarHBondContact OE1-O 3.39Å; D595-C597 PolarHBondContact O-N 3.03Å
598	T	91.2	Very high	91.9	Very high	2 Å²	2	36 Å²	36	1%	0.012	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	16	179.4	50.8	0	0	0	0	113.2	E596 A600 V601 E606 Y610 R626	E596-T598 PolarHBondContact O-N 3.35Å; E596-T598 VanDerWaalsContact O-N 3.15Å; T598-A600 PolarHBondContact O-N 3.45Å; T598-V601 HydrophobicContact CG2-CG2 4.5Å; T598-V601 PolarHBondContact O-N 3.25Å; T598-E606 WeakPolarHBondContact CB-OE2 3.38Å; T598-E606 HydrophobicContact CG2-CG 4.32Å; T598-E606 PolarHBondContact OG1-OE2 2.66Å; T598-Y610 HydrophobicContact CG2-CE2 3.88Å; T598-R626 PolarHBondContact O-NH1 3.1Å; T598-R626 VanDerWaalsContact O-NH1 3.14Å
599	S	88.4	Confident	91.9	Very high	72 Å²	72	29.8 Å²	29.8	50%	0.503	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.1	-178.2	54.9	0	0	0	0	114.8	Q577 E596	Q577-S599 PolarHBondContact NE2-OG 3.19Å; E596-S599 PolarHBondContact O-N 3.35Å; E596-S599 PolarHBondContact O-OG 3.21Å
600	A	87.5	Confident	91.9	Very high	59 Å²	59	29.5 Å²	29.5	49%	0.488	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	16.3	175.4	0	0	0	0	0	112.6	G574 T598	G574-A600 WeakPolarHBondContact CA-O 3.41Å; T598-A600 PolarHBondContact O-N 3.45Å
601	V	90.2	Very high	91.9	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.036	18%	0.177	C	C	.	.	S	Bend	trans	-110.8	140.5	-179.5	-176.4	0	0	0	0	109.7	Q577 R578 T598 V605 R626	Q577-V601 HydrophobicContact CB-CG2 4.05Å; R578-V601 HydrophobicContact CG-CG1 4.29Å; R578-V601 HydrophobicContact CG-CG2 3.87Å; T598-V601 HydrophobicContact CG2-CG2 4.5Å; T598-V601 PolarHBondContact O-N 3.25Å; V601-V605 HydrophobicContact CG1-CB 3.71Å; V601-V605 HydrophobicContact CG1-CG1 3.75Å; V601-R626 PolarHBondContact O-NH1 3.01Å
602	S	90	Very high	91.8	Very high	56 Å²	56	32 Å²	32	39%	0.392	19%	0.186	S	C	.	.			trans	-65.6	153.8	177.3	58.9	0	0	0	0	111.5	D604 V605 E606	S602-D604 VanDerWaalsContact C-N 3.32Å; S602-D604 WeakPolarHBondContact CB-OD1 3.19Å; S602-D604 PolarHBondContact O-N 3.18Å; S602-D604 PolarHBondContact OG-OD1 2.96Å; S602-V605 PolarHBondContact O-N 3.37Å; S602-V605 VanDerWaalsContact OG-CG2 3.3Å; S602-V605 WeakPolarHBondContact OG-CG2 3.41Å; S602-E606 WeakPolarHBondContact O-CB 3.46Å; S602-E606 PolarHBondContact O-N 3.22Å
603	V	89.9	Confident	91.7	Very high	74 Å²	74	32 Å²	32	45%	0.448	19%	0.186	S	C	.	.	H	α-helix	trans	-63.4	-37.3	-171.3	179.5	0	0	0	0	112.2	E606 D607	V603-E606 PolarHBondContact O-N 3.35Å; V603-D607 WeakPolarHBondContact O-CB 3.4Å; V603-D607 PolarHBondContact O-N 3.26Å
604	D	88.4	Confident	91.6	Very high	102 Å²	102	37 Å²	37	55%	0.545	21%	0.205	S	C	.	.	H	α-helix	trans	-63.4	-43	178	59.8	-41.5	0	0	0	112.3	S602 Y608	S602-D604 VanDerWaalsContact C-N 3.32Å; S602-D604 WeakPolarHBondContact CB-OD1 3.19Å; S602-D604 PolarHBondContact O-N 3.18Å; S602-D604 PolarHBondContact OG-OD1 2.96Å; D604-Y608 PolarHBondContact O-N 3.1Å; D604-Y608 VanDerWaalsContact O-N 3.17Å
605	V	90.4	Very high	91.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-73.5	-38.9	178	-176.8	0	0	0	0	111	V601 S602 D607 Y608 I609	V601-V605 HydrophobicContact CG1-CB 3.71Å; V601-V605 HydrophobicContact CG1-CG1 3.75Å; S602-V605 PolarHBondContact O-N 3.37Å; S602-V605 VanDerWaalsContact OG-CG2 3.3Å; S602-V605 WeakPolarHBondContact OG-CG2 3.41Å; V605-D607 VanDerWaalsContact C-N 3.35Å; V605-Y608 PolarHBondContact O-N 3.21Å; V605-I609 HydrophobicContact CG1-CD1 3.8Å; V605-I609 HydrophobicContact CG1-CG1 4.32Å; V605-I609 WeakPolarHBondContact O-CB 3.47Å; V605-I609 VanDerWaalsContact O-CG1 3.24Å; V605-I609 WeakPolarHBondContact O-CG1 3.4Å; V605-I609 PolarHBondContact O-N 3.13Å
606	E	93.2	Very high	91.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-57	-48.8	172.6	178.4	176.9	81	0	0	111.1	T598 S602 V603 Y608 I609 Y610 R626 S628 L629	T598-E606 WeakPolarHBondContact CB-OE2 3.38Å; T598-E606 HydrophobicContact CG2-CG 4.32Å; T598-E606 PolarHBondContact OG1-OE2 2.66Å; S602-E606 WeakPolarHBondContact O-CB 3.46Å; S602-E606 PolarHBondContact O-N 3.22Å; V603-E606 PolarHBondContact O-N 3.35Å; E606-Y608 VanDerWaalsContact C-N 3.34Å; E606-Y608 PolarHBondContact O-N 3.47Å; E606-I609 PolarHBondContact O-N 3.47Å; E606-Y610 HydrophobicContact CG-CD2 4.05Å; E606-Y610 HydrophobicContact CG-CE2 4.09Å; E606-Y610 VanDerWaalsContact O-CD2 3.31Å; E606-Y610 WeakPolarHBondContact O-CD2 3.1Å; E606-Y610 PolarHBondContact O-N 3.11Å; E606-R626 IonicContact OE1-CZ 3.27Å; E606-R626 IonicContact OE1-NE 3.71Å; E606-R626 IonicContact OE1-NH1 3.81Å; E606-R626 PolarHBondContact OE1-NH1 3.48Å; E606-R626 WeakPolarHBondContact OE2-CD 3.3Å; E606-R626 IonicContact OE2-CZ 3.24Å; E606-R626 IonicContact OE2-NE 3.48Å; E606-R626 IonicContact OE2-NH1 2.87Å; E606-R626 PolarHBondContact OE2-NH1 2.93Å; E606-S628 PolarHBondContact OE1-OG 2.98Å; E606-L629 HydrophobicContact CG-CD2 3.58Å; E606-L629 HydrophobicContact CG-CG 4.32Å
607	D	92.6	Very high	91.5	Very high	54 Å²	54	44.8 Å²	44.8	29%	0.289	27%	0.265	S	S	.	.	H	α-helix	trans	-57.5	-45.5	178	-171.8	31.9	0	0	0	112.2	V603 V605 S611 K631 H632	V603-D607 WeakPolarHBondContact O-CB 3.4Å; V603-D607 PolarHBondContact O-N 3.26Å; V605-D607 VanDerWaalsContact C-N 3.35Å; D607-S611 WeakPolarHBondContact O-CB 3.18Å; D607-S611 PolarHBondContact O-N 3.48Å; D607-S611 PolarHBondContact O-OG 3.33Å; D607-K631 WeakPolarHBondContact OD1-CE 3.22Å; D607-K631 IonicContact OD1-NZ 3.25Å; D607-K631 PolarHBondContact OD1-NZ 2.97Å; D607-K631 IonicContact OD2-NZ 3.47Å; D607-K631 PolarHBondContact OD2-NZ 3.41Å; D607-H632 IonicContact OD1-CE1 2.71Å; D607-H632 PolarHBondContact OD1-CE1 2.93Å; D607-H632 IonicContact OD1-NE2 3.51Å; D607-H632 PolarHBondContact OD1-NE2 3.48Å
608	Y	93	Very high	91.8	Very high	105 Å²	105	44.8 Å²	44.8	41%	0.412	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-48.7	176.8	-179	-94.3	0	0	0	111.9	N548 D604 V605 E606 Y610 S611 H612	N548-Y608 HydrophobicContact CB-CE1 4.33Å; N548-Y608 VanDerWaalsContact O-CD1 3.32Å; N548-Y608 WeakPolarHBondContact O-CD1 3.41Å; N548-Y608 WeakPolarHBondContact O-CE1 3.46Å; N548-Y608 PolarHBondContact OD1-OH 2.94Å; N548-Y608 VanDerWaalsContact OD1-OH 3.05Å; D604-Y608 PolarHBondContact O-N 3.1Å; D604-Y608 VanDerWaalsContact O-N 3.17Å; V605-Y608 PolarHBondContact O-N 3.21Å; E606-Y608 VanDerWaalsContact C-N 3.34Å; E606-Y608 PolarHBondContact O-N 3.47Å; Y608-Y610 PolarHBondContact O-N 3.34Å; Y608-S611 PolarHBondContact O-N 3.42Å; Y608-H612 WeakPolarHBondContact O-CB 3.41Å; Y608-H612 PolarHBondContact O-N 2.87Å
609	I	94	Very high	92	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-46.6	-177.6	-72.2	171.3	0	0	0	111	V549 R578 M581 F585 V605 E606 H612 C613	V549-I609 HydrophobicContact CG1-CD1 4.34Å; V549-I609 HydrophobicContact CG1-CG1 4.38Å; R578-I609 HydrophobicContact CG-CD1 4.37Å; M581-I609 HydrophobicContact CB-CD1 4.49Å; M581-I609 HydrophobicContact CB-CG2 4.19Å; M581-I609 HydrophobicContact CE-CG2 3.28Å; M581-I609 HydrophobicContact CG-CD1 4.43Å; M581-I609 HydrophobicContact CG-CG2 4.02Å; M581-I609 HydrophobicContact SD-CG2 4.45Å; F585-I609 HydrophobicContact CZ-CG2 4.08Å; V605-I609 HydrophobicContact CG1-CD1 3.8Å; V605-I609 HydrophobicContact CG1-CG1 4.32Å; V605-I609 WeakPolarHBondContact O-CB 3.47Å; V605-I609 VanDerWaalsContact O-CG1 3.24Å; V605-I609 WeakPolarHBondContact O-CG1 3.4Å; V605-I609 PolarHBondContact O-N 3.13Å; E606-I609 PolarHBondContact O-N 3.47Å; I609-H612 PolarHBondContact O-N 2.87Å; I609-C613 PolarHBondContact O-N 2.97Å; I609-C613 PolarHBondContact O-SG 3.45Å
610	Y	94.8	Very high	92.4	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-39.8	-179.8	-84.4	-105.5	0	0	0	112	L594 T598 E606 Y608 H612 C613 R614 L620 T622 L629 H632 H633	L594-Y610 HydrophobicContact CD1-CE1 3.71Å; L594-Y610 HydrophobicContact CD1-CE2 4.43Å; T598-Y610 HydrophobicContact CG2-CE2 3.88Å; E606-Y610 HydrophobicContact CG-CD2 4.05Å; E606-Y610 HydrophobicContact CG-CE2 4.09Å; E606-Y610 VanDerWaalsContact O-CD2 3.31Å; E606-Y610 WeakPolarHBondContact O-CD2 3.1Å; E606-Y610 PolarHBondContact O-N 3.11Å; Y608-Y610 PolarHBondContact O-N 3.34Å; Y610-H612 VanDerWaalsContact C-N 3.32Å; Y610-H612 PolarHBondContact O-N 3.5Å; Y610-C613 WeakPolarHBondContact O-CB 3.16Å; Y610-C613 PolarHBondContact O-N 3Å; Y610-R614 PolarHBondContact O-N 2.93Å; Y610-L620 HydrophobicContact CD1-CD1 3.49Å; Y610-L620 VanDerWaalsContact CD1-CD1 3.49Å; Y610-L620 HydrophobicContact CE1-CD1 4.04Å; Y610-L620 HydrophobicContact CG-CD1 4.34Å; Y610-T622 HydrophobicContact CE1-CG2 3.88Å; Y610-T622 WeakPolarHBondContact OH-CG2 3.48Å; Y610-L629 HydrophobicContact CD1-CD2 3.8Å; Y610-L629 HydrophobicContact CD2-CD2 3.64Å; Y610-L629 HydrophobicContact CE1-CD2 3.73Å; Y610-L629 HydrophobicContact CE2-CD2 3.54Å; Y610-L629 HydrophobicContact CG-CD2 3.76Å; Y610-H632 HydrophobicContact CD1-CB 4.3Å; Y610-H633 AromaticContact CE1-CE1 3.89Å
611	S	93.6	Very high	92.7	Very high	46 Å²	46	38.7 Å²	38.7	32%	0.322	22%	0.219	S	C	.	.	H	α-helix	trans	-60.9	-43	173.6	-61.5	0	0	0	0	111.5	D607 Y608 R614 T615 H632	D607-S611 WeakPolarHBondContact O-CB 3.18Å; D607-S611 PolarHBondContact O-N 3.48Å; D607-S611 PolarHBondContact O-OG 3.33Å; Y608-S611 PolarHBondContact O-N 3.42Å; S611-R614 PolarHBondContact O-N 3.24Å; S611-T615 PolarHBondContact O-N 2.96Å; S611-T615 VanDerWaalsContact O-N 3.07Å; S611-T615 PolarHBondContact O-OG1 2.68Å; S611-T615 VanDerWaalsContact O-OG1 3.14Å; S611-H632 PolarHBondContact OG-CE1 2.98Å
612	H	93.4	Very high	92.9	Very high	41 Å²	41	38.4 Å²	38.4	19%	0.19	22%	0.217	C	C	.	.	H	α-helix	trans	-64	-41.4	177.3	-167.3	77.2	0	0	0	112	F585 Y608 I609 Y610 R614 T615 V616	F585-H612 AromaticContact CE1-CD2 3.65Å; F585-H612 HydrophobicContact CZ-CB 4.33Å; F585-H612 AromaticContact CZ-CD2 3.73Å; Y608-H612 WeakPolarHBondContact O-CB 3.41Å; Y608-H612 PolarHBondContact O-N 2.87Å; I609-H612 PolarHBondContact O-N 2.87Å; Y610-H612 VanDerWaalsContact C-N 3.32Å; Y610-H612 PolarHBondContact O-N 3.5Å; H612-R614 VanDerWaalsContact C-N 3.29Å; H612-R614 PolarHBondContact O-N 2.98Å; H612-T615 PolarHBondContact O-N 2.95Å; H612-V616 VanDerWaalsContact O-CG2 3.32Å; H612-V616 WeakPolarHBondContact O-CG2 3.35Å; H612-V616 PolarHBondContact O-N 3.36Å
613	C	94.1	Very high	93.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.2	-44.5	174.2	-68.6	0	0	0	0	112.2	F585 I609 Y610 V616 G617 I618 L620	F585-C613 VanDerWaalsContact CE1-SG 3.51Å; I609-C613 PolarHBondContact O-N 2.97Å; I609-C613 PolarHBondContact O-SG 3.45Å; Y610-C613 WeakPolarHBondContact O-CB 3.16Å; Y610-C613 PolarHBondContact O-N 3Å; C613-V616 PolarHBondContact O-N 2.85Å; C613-G617 PolarHBondContact O-N 3.49Å; C613-I618 HydrophobicContact CB-CB 4.39Å; C613-I618 PolarHBondContact O-N 3.13Å; C613-L620 HydrophobicContact CB-CD1 4.02Å; C613-L620 HydrophobicContact CB-CD2 3.79Å; C613-L620 HydrophobicContact CB-CG 4.28Å
614	R	91.9	Very high	93	Very high	106 Å²	106	32.6 Å²	32.6	40%	0.4	18%	0.18	S	C	.	.	H	α-helix	trans	-64.4	-44.8	178.2	-67	178.5	76.6	-166	7.7	111.5	Y610 S611 H612 V616 G617 E634	Y610-R614 PolarHBondContact O-N 2.93Å; S611-R614 PolarHBondContact O-N 3.24Å; H612-R614 VanDerWaalsContact C-N 3.29Å; H612-R614 PolarHBondContact O-N 2.98Å; R614-V616 VanDerWaalsContact C-N 3.28Å; R614-V616 PolarHBondContact O-N 3.03Å; R614-G617 PolarHBondContact O-N 2.83Å; R614-E634 IonicContact CZ-OE1 2.89Å; R614-E634 IonicContact NE-OE1 2.87Å; R614-E634 IonicContact NH2-OE1 2.9Å; R614-E634 PolarHBondContact NH2-OE1 3Å
615	T	92.3	Very high	92.9	Very high	120 Å²	120	30.3 Å²	30.3	74%	0.736	17%	0.166	S	C	*	.	H	α-helix	trans	-60.2	-38.1	177.3	-58.2	0	0	0	0	112.4	S611 H612 G617	S611-T615 PolarHBondContact O-N 2.96Å; S611-T615 VanDerWaalsContact O-N 3.07Å; S611-T615 PolarHBondContact O-OG1 2.68Å; S611-T615 VanDerWaalsContact O-OG1 3.14Å; H612-T615 PolarHBondContact O-N 2.95Å; T615-G617 PolarHBondContact O-N 3.2Å
616	V	91.2	Very high	92.8	Very high	42 Å²	42	32.9 Å²	32.9	26%	0.255	18%	0.175	S	C	.	.	H	α-helix	trans	-77.5	-9.2	178.7	178.6	0	0	0	0	112.3	K588 H612 C613 R614 I618	K588-V616 HydrophobicContact CD-CG1 3.88Å; K588-V616 HydrophobicContact CG-CG1 3.83Å; H612-V616 VanDerWaalsContact O-CG2 3.32Å; H612-V616 WeakPolarHBondContact O-CG2 3.35Å; H612-V616 PolarHBondContact O-N 3.36Å; C613-V616 PolarHBondContact O-N 2.85Å; R614-V616 VanDerWaalsContact C-N 3.28Å; R614-V616 PolarHBondContact O-N 3.03Å; V616-I618 HydrophobicContact CB-CG1 4.5Å; V616-I618 HydrophobicContact CG1-CD1 4.31Å; V616-I618 HydrophobicContact CG1-CG1 4.26Å
617	G	92.3	Very high	92.6	Very high	51 Å²	51	37.2 Å²	37.2	53%	0.526	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	21.6	176.9	0	0	0	0	0	114.4	C613 R614 T615	C613-G617 PolarHBondContact O-N 3.49Å; R614-G617 PolarHBondContact O-N 2.83Å; T615-G617 PolarHBondContact O-N 3.2Å
618	I	95.3	Very high	92.4	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-83.4	125	177.3	-56.4	176.2	0	0	0	108.7	L584 F585 P589 A592 C613 V616 L620	L584-I618 HydrophobicContact CG-CD1 4.48Å; F585-I618 HydrophobicContact CD1-CD1 4.46Å; P589-I618 HydrophobicContact CG-CG2 4.28Å; A592-I618 HydrophobicContact CB-CG2 3.58Å; C613-I618 HydrophobicContact CB-CB 4.39Å; C613-I618 PolarHBondContact O-N 3.13Å; V616-I618 HydrophobicContact CB-CG1 4.5Å; V616-I618 HydrophobicContact CG1-CD1 4.31Å; V616-I618 HydrophobicContact CG1-CG1 4.26Å; I618-L620 HydrophobicContact CG2-CD2 4.12Å
619	T	95.8	Very high	92.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.9	176.9	-46.9	0	0	0	0	109.9	S465 G466 T467 Q590 F591 A592	S465-T619 WeakPolarHBondContact CA-OG1 3.12Å; S465-T619 PolarHBondContact OG-OG1 3.18Å; G466-T619 PolarHBondContact N-OG1 3.02Å; T467-T619 WeakPolarHBondContact O-CG2 3.13Å; Q590-T619 WeakPolarHBondContact O-CB 3.45Å; Q590-T619 PolarHBondContact O-N 3.36Å; Q590-T619 PolarHBondContact O-OG1 3.01Å; F591-T619 CarbonylContact C-O 3.54Å; F591-T619 WeakPolarHBondContact CA-O 3.48Å; F591-T619 HydrophobicContact CD1-CG2 3.68Å; F591-T619 HydrophobicContact CE1-CG2 3.59Å; A592-T619 PolarHBondContact N-O 3.35Å
620	L	95.4	Very high	92.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.5	-171.9	-56.4	-179.2	0	0	0	111.8	N468 V469 A592 L594 Y610 C613 I618	N468-L620 CarbonylContact C-O 3.58Å; N468-L620 VanDerWaalsContact CA-O 3.3Å; N468-L620 WeakPolarHBondContact CA-O 3.44Å; N468-L620 HydrophobicContact CB-CB 4.11Å; N468-L620 PolarHBondContact OD1-N 2.59Å; V469-L620 PolarHBondContact N-O 3.31Å; A592-L620 HydrophobicContact CB-CD2 4.06Å; L594-L620 HydrophobicContact CD1-CD2 3.94Å; Y610-L620 HydrophobicContact CD1-CD1 3.49Å; Y610-L620 VanDerWaalsContact CD1-CD1 3.49Å; Y610-L620 HydrophobicContact CE1-CD1 4.04Å; Y610-L620 HydrophobicContact CG-CD1 4.34Å; C613-L620 HydrophobicContact CB-CD1 4.02Å; C613-L620 HydrophobicContact CB-CD2 3.79Å; C613-L620 HydrophobicContact CB-CG 4.28Å; I618-L620 HydrophobicContact CG2-CD2 4.12Å
621	F	94.7	Very high	92.2	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	97.3	168.5	-160.5	-158.3	0	0	0	109.6	F461 V469 V471 L482 F483 L486 A592 I593 L594 L637	F461-F621 AromaticContact CE2-CZ 3.95Å; F461-F621 HydrophobicContact CE2-CZ 3.95Å; F461-F621 HydrophobicContact CZ-CE1 4.4Å; F461-F621 AromaticContact CZ-CZ 3.89Å; F461-F621 HydrophobicContact CZ-CZ 3.89Å; V469-F621 HydrophobicContact CB-CD2 3.61Å; V469-F621 HydrophobicContact CB-CE2 3.76Å; V469-F621 HydrophobicContact CG1-CD2 3.92Å; V469-F621 HydrophobicContact CG1-CE2 3.56Å; V469-F621 WeakPolarHBondContact O-CA 3.39Å; V471-F621 HydrophobicContact CG2-CD2 3.68Å; V471-F621 HydrophobicContact CG2-CE2 3.25Å; V471-F621 HydrophobicContact CG2-CZ 3.8Å; L482-F621 HydrophobicContact CD2-CE1 4.25Å; L482-F621 HydrophobicContact CD2-CZ 4.03Å; F483-F621 HydrophobicContact CD1-CD1 4.28Å; F483-F621 HydrophobicContact CD1-CE1 4.28Å; F483-F621 AromaticContact CE1-CD1 3.51Å; F483-F621 HydrophobicContact CE1-CD1 3.51Å; F483-F621 AromaticContact CE1-CE1 3.63Å; F483-F621 HydrophobicContact CE1-CE1 3.63Å; F483-F621 HydrophobicContact CE1-CG 4.04Å; F483-F621 HydrophobicContact CE1-CZ 4.25Å; F483-F621 HydrophobicContact CZ-CD1 4.32Å; F483-F621 HydrophobicContact CZ-CG 4.43Å; L486-F621 HydrophobicContact CD2-CD1 3.93Å; L486-F621 HydrophobicContact CD2-CE1 4.07Å; A592-F621 PolarHBondContact O-N 2.96Å; I593-F621 CarbonylContact C-O 3.52Å; I593-F621 WeakPolarHBondContact CA-O 3.36Å; L594-F621 PolarHBondContact N-O 3.25Å; F621-L637 HydrophobicContact CZ-CD2 4.22Å
622	T	94.7	Very high	92.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.2	-160.8	-54	0	0	0	0	111.4	V469 L470 V471 L594 Y610 L629 H633	V469-T622 PolarHBondContact O-N 3.1Å; L470-T622 CarbonylContact C-O 3.51Å; L470-T622 WeakPolarHBondContact CA-O 3.48Å; L470-T622 HydrophobicContact CD1-CG2 4.16Å; V471-T622 PolarHBondContact N-O 3.3Å; L594-T622 HydrophobicContact CB-CG2 4.13Å; L594-T622 CarbonylContact O-C 3.34Å; L594-T622 WeakPolarHBondContact O-CA 3.41Å; Y610-T622 HydrophobicContact CE1-CG2 3.88Å; Y610-T622 WeakPolarHBondContact OH-CG2 3.48Å; T622-L629 HydrophobicContact CG2-CD1 4.28Å; T622-H633 VanDerWaalsContact CB-NE2 3.29Å; T622-H633 WeakPolarHBondContact CB-NE2 3.16Å; T622-H633 PolarHBondContact OG1-NE2 3.41Å
623	V	93.1	Very high	92.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.1	162.7	170.1	0	0	0	0	108.4	V471 K479 F483 L594 E596	V471-V623 HydrophobicContact CB-CG2 3.65Å; V471-V623 HydrophobicContact CG1-CG2 3.88Å; V471-V623 HydrophobicContact CG2-CG2 4.37Å; K479-V623 HydrophobicContact CB-CG1 4.19Å; K479-V623 HydrophobicContact CB-CG2 3.87Å; K479-V623 HydrophobicContact CD-CG1 3.89Å; K479-V623 HydrophobicContact CD-CG2 4.49Å; F483-V623 HydrophobicContact CD2-CG2 4.08Å; F483-V623 HydrophobicContact CE1-CG2 4.46Å; F483-V623 HydrophobicContact CE2-CB 3.91Å; F483-V623 HydrophobicContact CE2-CG2 3.14Å; F483-V623 HydrophobicContact CZ-CB 4.39Å; F483-V623 HydrophobicContact CZ-CG2 3.39Å; L594-V623 PolarHBondContact O-N 3.38Å; E596-V623 WeakPolarHBondContact CA-O 3.44Å; E596-V623 HydrophobicContact CG-CG1 4.07Å; E596-V623 PolarHBondContact N-O 3.23Å
624	S	89.2	Confident	92.3	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.049	19%	0.189	C	C	.	.			trans	-155.2	157.8	171.1	-169.1	0	0	0	0	111.7	R626 L629	S624-R626 PolarHBondContact OG-N 2.95Å; S624-R626 VanDerWaalsContact OG-N 3.07Å; S624-L629 VanDerWaalsContact CB-CD1 3.44Å; S624-L629 VanDerWaalsContact OG-CD1 3.31Å; S624-L629 WeakPolarHBondContact OG-CD1 3.49Å
625	H	86.3	Confident	92.5	Very high	54 Å²	54	35.4 Å²	35.4	25%	0.25	19%	0.186	C	C	.	.			trans	-104.3	4.3	170.1	-70.9	-84.6	0	0	0	112	G473 N475 K479 E596 G658 S659	G473-H625 PolarHBondContact O-CE1 3.24Å; N475-H625 PolarHBondContact OD1-NE2 3.4Å; K479-H625 PolarHBondContact NZ-NE2 3.44Å; E596-H625 IonicContact OE1-CD2 2.94Å; E596-H625 PolarHBondContact OE1-CD2 3.44Å; E596-H625 IonicContact OE1-NE2 2.72Å; H625-G658 CarbonylContact O-C 3.59Å; H625-G658 WeakPolarHBondContact O-CA 3.48Å; H625-S659 PolarHBondContact O-N 3.39Å; H625-S659 PolarHBondContact O-OG 3.16Å
626	R	88.3	Confident	92.6	Very high	54 Å²	54	30.4 Å²	30.4	20%	0.204	15%	0.154	C	C	.	.			trans	-91.8	130.8	-175.7	-58.8	-177.2	77.6	170.2	13.2	111.8	T598 V601 E606 S624 S628 L629	T598-R626 PolarHBondContact O-NH1 3.1Å; T598-R626 VanDerWaalsContact O-NH1 3.14Å; V601-R626 PolarHBondContact O-NH1 3.01Å; E606-R626 IonicContact OE1-CZ 3.27Å; E606-R626 IonicContact OE1-NE 3.71Å; E606-R626 IonicContact OE1-NH1 3.81Å; E606-R626 PolarHBondContact OE1-NH1 3.48Å; E606-R626 WeakPolarHBondContact OE2-CD 3.3Å; E606-R626 IonicContact OE2-CZ 3.24Å; E606-R626 IonicContact OE2-NE 3.48Å; E606-R626 IonicContact OE2-NH1 2.87Å; E606-R626 PolarHBondContact OE2-NH1 2.93Å; S624-R626 PolarHBondContact OG-N 2.95Å; S624-R626 VanDerWaalsContact OG-N 3.07Å; R626-S628 VanDerWaalsContact C-N 3.3Å; R626-S628 PolarHBondContact O-N 3.5Å; R626-L629 HydrophobicContact CB-CD1 4.45Å; R626-L629 PolarHBondContact O-N 3.36Å
627	K	88.2	Confident	92.7	Very high	92 Å²	92	28.5 Å²	28.5	40%	0.4	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-64.5	-32.7	176.2	-65.7	-170.2	179.9	-172.3	0	113.5	L629 W630 E656 G658 S659	K627-L629 PolarHBondContact O-N 3.46Å; K627-W630 PolarHBondContact O-N 2.86Å; K627-W630 VanDerWaalsContact O-N 3.08Å; K627-E656 HydrophobicContact CD-CB 4.43Å; K627-E656 HydrophobicContact CG-CB 4.45Å; K627-G658 WeakPolarHBondContact CE-O 3.08Å; K627-S659 PolarHBondContact N-O 3.42Å
628	S	89.9	Confident	92.8	Very high	32 Å²	32	28 Å²	28	22%	0.224	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-52.3	-26.6	178	46.9	0	0	0	0	114.1	E606 R626 K631	E606-S628 PolarHBondContact OE1-OG 2.98Å; R626-S628 VanDerWaalsContact C-N 3.3Å; R626-S628 PolarHBondContact O-N 3.5Å; S628-K631 WeakPolarHBondContact O-CG 3.36Å
629	L	92	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-85.9	-15.8	-175.6	-69.6	174	0	0	0	114.3	L470 E606 Y610 T622 S624 R626 K627 K631 H632 H633	L470-L629 HydrophobicContact CD1-CB 4.4Å; E606-L629 HydrophobicContact CG-CD2 3.58Å; E606-L629 HydrophobicContact CG-CG 4.32Å; Y610-L629 HydrophobicContact CD1-CD2 3.8Å; Y610-L629 HydrophobicContact CD2-CD2 3.64Å; Y610-L629 HydrophobicContact CE1-CD2 3.73Å; Y610-L629 HydrophobicContact CE2-CD2 3.54Å; Y610-L629 HydrophobicContact CG-CD2 3.76Å; T622-L629 HydrophobicContact CG2-CD1 4.28Å; S624-L629 VanDerWaalsContact CB-CD1 3.44Å; S624-L629 VanDerWaalsContact OG-CD1 3.31Å; S624-L629 WeakPolarHBondContact OG-CD1 3.49Å; R626-L629 HydrophobicContact CB-CD1 4.45Å; R626-L629 PolarHBondContact O-N 3.36Å; K627-L629 PolarHBondContact O-N 3.46Å; L629-K631 VanDerWaalsContact C-N 3.28Å; L629-K631 PolarHBondContact O-N 3.16Å; L629-H632 PolarHBondContact O-N 3.39Å; L629-H632 VanDerWaalsContact O-N 3.1Å; L629-H633 PolarHBondContact O-CE1 3.16Å; L629-H633 PolarHBondContact O-ND1 3.11Å
630	W	92.3	Very high	92.3	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.015	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-59.4	-39.1	-176.9	-76.7	70.3	0	0	0	112.1	L470 K627 H632 H633 Y636 I650 T654 E656 F657	L470-W630 HydrophobicContact CD2-CD2 3.67Å; L470-W630 VanDerWaalsContact CD2-CE2 3.48Å; L470-W630 HydrophobicContact CD2-CE3 4.35Å; L470-W630 HydrophobicContact CD2-CG 3.76Å; L470-W630 HydrophobicContact CD2-CZ2 4.03Å; K627-W630 PolarHBondContact O-N 2.86Å; K627-W630 VanDerWaalsContact O-N 3.08Å; W630-H632 PolarHBondContact O-N 2.98Å; W630-H633 PolarHBondContact O-N 2.94Å; W630-H633 VanDerWaalsContact O-N 3.08Å; W630-Y636 HydrophobicContact CH2-CG 4.27Å; W630-Y636 HydrophobicContact CZ3-CD1 4.26Å; W630-Y636 HydrophobicContact CZ3-CG 4.2Å; W630-I650 HydrophobicContact CE3-CD1 3.86Å; W630-I650 HydrophobicContact CE3-CG1 4.08Å; W630-I650 HydrophobicContact CE3-CG2 4.16Å; W630-I650 HydrophobicContact CZ3-CD1 4.24Å; W630-I650 HydrophobicContact CZ3-CG1 4.11Å; W630-T654 HydrophobicContact CH2-CG2 4.36Å; W630-T654 HydrophobicContact CZ3-CG2 3.66Å; W630-E656 HydrophobicContact CB-CG 4.41Å; W630-E656 HydrophobicContact CD2-CB 4.14Å; W630-E656 HydrophobicContact CD2-CG 3.85Å; W630-E656 HydrophobicContact CE3-CG 4.08Å; W630-E656 HydrophobicContact CG-CB 4.42Å; W630-E656 HydrophobicContact CG-CG 4.01Å; W630-E656 HydrophobicContact CZ2-CB 4.49Å; W630-F657 AromaticContact CH2-CD2 3.95Å; W630-F657 HydrophobicContact CH2-CD2 3.95Å; W630-F657 HydrophobicContact CZ2-CB 4.21Å; W630-F657 HydrophobicContact CZ2-CD2 4.11Å; W630-F657 VanDerWaalsContact CZ2-N 3.26Å; W630-F657 PolarHBondContact NE1-O 3.31Å
631	K	91.9	Very high	91.8	Very high	124 Å²	124	32.4 Å²	32.4	54%	0.539	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-61.4	-16.8	178	71.3	-175.7	-175.4	167	0	115.3	D607 S628 L629	D607-K631 WeakPolarHBondContact OD1-CE 3.22Å; D607-K631 IonicContact OD1-NZ 3.25Å; D607-K631 PolarHBondContact OD1-NZ 2.97Å; D607-K631 IonicContact OD2-NZ 3.47Å; D607-K631 PolarHBondContact OD2-NZ 3.41Å; S628-K631 WeakPolarHBondContact O-CG 3.36Å; L629-K631 VanDerWaalsContact C-N 3.28Å; L629-K631 PolarHBondContact O-N 3.16Å
632	H	93.3	Very high	91.5	Very high	6 Å²	6	43 Å²	43	3%	0.028	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-94.8	-3.7	179.2	-59.8	-71.2	0	0	0	113.6	D607 Y610 S611 L629 W630	D607-H632 IonicContact OD1-CE1 2.71Å; D607-H632 PolarHBondContact OD1-CE1 2.93Å; D607-H632 IonicContact OD1-NE2 3.51Å; D607-H632 PolarHBondContact OD1-NE2 3.48Å; Y610-H632 HydrophobicContact CD1-CB 4.3Å; S611-H632 PolarHBondContact OG-CE1 2.98Å; L629-H632 PolarHBondContact O-N 3.39Å; L629-H632 VanDerWaalsContact O-N 3.1Å; W630-H632 PolarHBondContact O-N 2.98Å
633	H	95.3	Very high	91	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.046	21%	0.211	C	C	.	.			trans	-121.4	143	-174	-58.2	83.2	0	0	0	111	N468 V469 L470 Y610 T622 L629 W630 I650	N468-H633 HydrophobicContact CB-CB 4.42Å; V469-H633 PolarHBondContact O-CD2 2.96Å; L470-H633 HydrophobicContact CB-CB 3.99Å; Y610-H633 AromaticContact CE1-CE1 3.89Å; T622-H633 VanDerWaalsContact CB-NE2 3.29Å; T622-H633 WeakPolarHBondContact CB-NE2 3.16Å; T622-H633 PolarHBondContact OG1-NE2 3.41Å; L629-H633 PolarHBondContact O-CE1 3.16Å; L629-H633 PolarHBondContact O-ND1 3.11Å; W630-H633 PolarHBondContact O-N 2.94Å; W630-H633 VanDerWaalsContact O-N 3.08Å; H633-I650 HydrophobicContact CB-CD1 3.96Å; H633-I650 WeakPolarHBondContact O-CD1 3.45Å
634	E	95	Very high	90.8	Very high	57 Å²	57	49 Å²	49	27%	0.266	24%	0.237	S	C	.	.	S	Bend	trans	-94.1	-22.5	178.5	-64.1	80.4	-166.9	0	0	112.3	T467 N468 R614 P649 I650	T467-E634 HydrophobicContact CG2-CB 4.44Å; N468-E634 WeakPolarHBondContact CA-OE2 3.47Å; N468-E634 WeakPolarHBondContact CB-OE2 3.45Å; N468-E634 PolarHBondContact N-OE2 2.9Å; N468-E634 PolarHBondContact ND2-OE1 3.41Å; N468-E634 PolarHBondContact ND2-OE2 3.26Å; N468-E634 PolarHBondContact O-N 2.74Å; R614-E634 IonicContact CZ-OE1 2.89Å; R614-E634 IonicContact NE-OE1 2.87Å; R614-E634 IonicContact NH2-OE1 2.9Å; R614-E634 PolarHBondContact NH2-OE1 3Å; E634-P649 WeakPolarHBondContact O-CA 3.36Å; E634-I650 PolarHBondContact O-N 2.97Å
635	Y	95.4	Very high	91.1	Very high	82 Å²	82	51.9 Å²	51.9	32%	0.322	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.9	-179.9	-74.9	-105.9	0	0	0	111.2	T467 N468 V469 L470 F647 K648 P649	T467-Y635 HydrophobicContact CG2-CD2 3.32Å; T467-Y635 HydrophobicContact CG2-CE2 3.61Å; T467-Y635 HydrophobicContact CG2-CG 4.29Å; N468-Y635 PolarHBondContact O-N 3.49Å; V469-Y635 WeakPolarHBondContact CA-O 3.15Å; L470-Y635 PolarHBondContact N-O 2.78Å; Y635-F647 AromaticContact CD1-CE1 3.93Å; Y635-F647 HydrophobicContact CD1-CE1 3.93Å; Y635-F647 HydrophobicContact CD1-CE2 4.13Å; Y635-F647 AromaticContact CD1-CZ 3.67Å; Y635-F647 HydrophobicContact CD1-CZ 3.67Å; Y635-F647 HydrophobicContact CE1-CE1 4.33Å; Y635-F647 HydrophobicContact CE1-CZ 4.4Å; Y635-F647 HydrophobicContact CG-CE2 4.31Å; Y635-F647 HydrophobicContact CG-CZ 4.02Å; Y635-K648 WeakPolarHBondContact CA-O 3.49Å; Y635-K648 VanDerWaalsContact CD1-C 3.49Å; Y635-K648 WeakPolarHBondContact CD1-O 3.19Å; Y635-P649 HydrophobicContact CD1-CB 4.19Å; Y635-P649 HydrophobicContact CE1-CB 3.88Å; Y635-P649 HydrophobicContact CE1-CG 4.4Å
636	Y	94.8	Very high	91.4	Very high	16 Å²	16	52.4 Å²	52.4	6%	0.063	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.2	169.2	76	-87.1	0	0	0	111.5	L470 W630 H638 E646 F647 K648 I650 T654	L470-Y636 CarbonylContact O-C 3.55Å; L470-Y636 WeakPolarHBondContact O-CA 3.46Å; W630-Y636 HydrophobicContact CH2-CG 4.27Å; W630-Y636 HydrophobicContact CZ3-CD1 4.26Å; W630-Y636 HydrophobicContact CZ3-CG 4.2Å; Y636-H638 HydrophobicContact CD2-CB 3.79Å; Y636-H638 HydrophobicContact CE2-CB 3.73Å; Y636-E646 HydrophobicContact CE2-CG 4.48Å; Y636-E646 PolarHBondContact OH-OE2 3.42Å; Y636-F647 WeakPolarHBondContact O-CA 3.33Å; Y636-K648 HydrophobicContact CD1-CB 4.38Å; Y636-K648 WeakPolarHBondContact CD1-O 3.26Å; Y636-K648 HydrophobicContact CE1-CB 3.65Å; Y636-K648 PolarHBondContact N-O 3.08Å; Y636-K648 PolarHBondContact O-N 2.98Å; Y636-K648 VanDerWaalsContact O-N 3.12Å; Y636-I650 HydrophobicContact CD1-CG1 3.84Å; Y636-I650 HydrophobicContact CG-CG1 4.44Å; Y636-T654 HydrophobicContact CD1-CG2 3.94Å; Y636-T654 HydrophobicContact CE1-CG2 3.62Å
637	L	94.4	Very high	91.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	102	169.2	176.7	63.7	0	0	0	107.8	F461 V469 L470 V471 C472 L482 F621 Y645 E646 F647	F461-L637 HydrophobicContact CE1-CD2 4.19Å; F461-L637 HydrophobicContact CZ-CD2 4.18Å; V469-L637 HydrophobicContact CG1-CB 4.24Å; L470-L637 PolarHBondContact O-N 3.29Å; V471-L637 WeakPolarHBondContact CA-O 3.34Å; V471-L637 HydrophobicContact CG1-CD2 4.4Å; V471-L637 HydrophobicContact CG2-CB 4.33Å; V471-L637 HydrophobicContact CG2-CD2 4.3Å; C472-L637 PolarHBondContact N-O 3.46Å; L482-L637 HydrophobicContact CD2-CD2 3.68Å; F621-L637 HydrophobicContact CZ-CD2 4.22Å; L637-Y645 HydrophobicContact CD1-CD2 3.59Å; L637-Y645 HydrophobicContact CD1-CE2 4.42Å; L637-Y645 HydrophobicContact CD1-CG 4.36Å; L637-E646 CarbonylContact C-O 3.27Å; L637-E646 WeakPolarHBondContact CA-O 3.47Å; L637-F647 HydrophobicContact CB-CD2 4.18Å; L637-F647 HydrophobicContact CD1-CB 4.1Å; L637-F647 HydrophobicContact CD1-CD2 4.38Å
638	H	93.1	Very high	92	Very high	40 Å²	40	52.8 Å²	52.8	19%	0.185	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.1	177.6	179.5	-100	0	0	0	110.6	C472 Y636 Y645 E646	C472-H638 WeakPolarHBondContact O-CA 3.47Å; Y636-H638 HydrophobicContact CD2-CB 3.79Å; Y636-H638 HydrophobicContact CE2-CB 3.73Å; H638-Y645 CarbonylContact O-C 3.41Å; H638-Y645 WeakPolarHBondContact O-CA 3.29Å; H638-E646 PolarHBondContact N-O 2.99Å; H638-E646 PolarHBondContact O-N 3.39Å
639	M	92	Very high	92.2	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.5	174.1	-59.5	173.5	81.1	0	0	109.1	L447 I456 V471 C472 G473 P474 C477 K479 G641	L447-M639 HydrophobicContact CD2-CE 3.74Å; I456-M639 HydrophobicContact CD1-CE 3.38Å; I456-M639 HydrophobicContact CD1-CG 4.37Å; I456-M639 HydrophobicContact CG1-CE 4.1Å; V471-M639 HydrophobicContact CG1-SD 4.44Å; C472-M639 PolarHBondContact O-N 3.1Å; G473-M639 VanDerWaalsContact CA-O 3.27Å; G473-M639 WeakPolarHBondContact CA-O 3.5Å; P474-M639 WeakPolarHBondContact CD-O 3.33Å; C477-M639 HydrophobicContact CB-CB 4.18Å; C477-M639 VanDerWaalsContact O-CE 3.25Å; C477-M639 WeakPolarHBondContact O-CE 3.49Å; K479-M639 HydrophobicContact CG-SD 4.03Å; M639-G641 VanDerWaalsContact C-N 3.34Å; M639-G641 PolarHBondContact O-N 3.1Å
640	D	88.9	Confident	92.2	Very high	47 Å²	47	56.6 Å²	56.6	25%	0.251	27%	0.274	S	S	.	.			trans	-80	-13.7	-174	74.2	-7.7	0	0	0	114.3	R642 G643 N644	D640-R642 PolarHBondContact O-N 3.06Å; D640-R642 WeakPolarHBondContact OD1-CA 3.35Å; D640-R642 PolarHBondContact OD1-N 3.43Å; D640-G643 PolarHBondContact OD1-N 3.41Å; D640-G643 VanDerWaalsContact OD1-N 3.16Å; D640-N644 PolarHBondContact N-O 3.35Å; D640-N644 VanDerWaalsContact N-O 3.12Å; D640-N644 PolarHBondContact OD1-N 3.39Å; D640-N644 VanDerWaalsContact OD2-CB 3.31Å; D640-N644 WeakPolarHBondContact OD2-CB 3.46Å; D640-N644 PolarHBondContact OD2-ND2 2.91Å
641	G	86.2	Confident	92.1	Very high	46 Å²	46	60 Å²	60	47%	0.474	30%	0.295	S	S	.	.	S	Bend	trans	76.9	2.8	-175.7	0	0	0	0	0	115.2	M639	M639-G641 VanDerWaalsContact C-N 3.34Å; M639-G641 PolarHBondContact O-N 3.1Å
642	R	86.9	Confident	91.5	Very high	228 Å²	228	64.1 Å²	64.1	86%	0.86	32%	0.317	S	S	*	.	S	Bend	trans	-110.2	5.9	176.4	-58.4	-177.1	-179.7	-171.1	0.1	112.8	D640	D640-R642 PolarHBondContact O-N 3.06Å; D640-R642 WeakPolarHBondContact OD1-CA 3.35Å; D640-R642 PolarHBondContact OD1-N 3.43Å
643	G	84.6	Confident	90.9	Very high	22 Å²	22	72.4 Å²	72.4	23%	0.227	36%	0.355	C	S	.	.	S	Bend	trans	107.4	-2.3	177.3	0	0	0	0	0	114.8	L455 D640	L455-G643 WeakPolarHBondContact O-CA 3.44Å; D640-G643 PolarHBondContact OD1-N 3.41Å; D640-G643 VanDerWaalsContact OD1-N 3.16Å
644	N	89.9	Confident	90.4	Very high	103 Å²	103	73.1 Å²	73.1	55%	0.551	36%	0.361	S	S	*	.			trans	-105.6	158	176.2	-45.4	-63.6	0	0	0	111	D640	D640-N644 PolarHBondContact N-O 3.35Å; D640-N644 VanDerWaalsContact N-O 3.12Å; D640-N644 PolarHBondContact OD1-N 3.39Å; D640-N644 VanDerWaalsContact OD2-CB 3.31Å; D640-N644 WeakPolarHBondContact OD2-CB 3.46Å; D640-N644 PolarHBondContact OD2-ND2 2.91Å
645	Y	93.6	Very high	89.8	Confident	68 Å²	68	75.2 Å²	75.2	27%	0.267	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159	173.4	74.4	-77.7	0	0	0	110.1	I456 D458 L459 T460 L637 H638	I456-Y645 HydrophobicContact CD1-CD1 4.36Å; I456-Y645 HydrophobicContact CD1-CG 4.44Å; I456-Y645 HydrophobicContact CG2-CD1 3.97Å; I456-Y645 HydrophobicContact CG2-CE1 4.41Å; D458-Y645 VanDerWaalsContact O-CE1 3.24Å; D458-Y645 WeakPolarHBondContact O-CE1 3.45Å; L459-Y645 HydrophobicContact CD1-CD1 3.68Å; L459-Y645 HydrophobicContact CD1-CD2 3.74Å; L459-Y645 HydrophobicContact CD1-CE1 3.77Å; L459-Y645 HydrophobicContact CD1-CE2 3.8Å; L459-Y645 HydrophobicContact CD1-CG 3.67Å; T460-Y645 WeakPolarHBondContact CA-OH 3.18Å; T460-Y645 PolarHBondContact N-OH 3.48Å; T460-Y645 PolarHBondContact O-OH 3.48Å; L637-Y645 HydrophobicContact CD1-CD2 3.59Å; L637-Y645 HydrophobicContact CD1-CE2 4.42Å; L637-Y645 HydrophobicContact CD1-CG 4.36Å; H638-Y645 CarbonylContact O-C 3.41Å; H638-Y645 WeakPolarHBondContact O-CA 3.29Å
646	E	93.3	Very high	89.3	Confident	65 Å²	65	75.6 Å²	75.6	30%	0.304	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.5	174.9	-176.8	177.8	-133.6	0	0	108.8	Y636 L637 H638 K648	Y636-E646 HydrophobicContact CE2-CG 4.48Å; Y636-E646 PolarHBondContact OH-OE2 3.42Å; L637-E646 CarbonylContact C-O 3.27Å; L637-E646 WeakPolarHBondContact CA-O 3.47Å; H638-E646 PolarHBondContact N-O 2.99Å; H638-E646 PolarHBondContact O-N 3.39Å; E646-K648 HydrophobicContact CG-CD 3.88Å; E646-K648 HydrophobicContact CG-CG 3.96Å; E646-K648 VanDerWaalsContact OE1-CD 3.31Å; E646-K648 WeakPolarHBondContact OE1-CD 3.49Å; E646-K648 WeakPolarHBondContact OE1-CE 3.37Å; E646-K648 IonicContact OE1-NZ 3.56Å; E646-K648 PolarHBondContact OE1-NZ 3.43Å
647	F	94.8	Very high	88.3	Confident	53 Å²	53	78.8 Å²	78.8	23%	0.232	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.2	175.7	-179.7	-110.9	0	0	0	109.2	F461 V463 V469 Y635 Y636 L637	F461-F647 HydrophobicContact CB-CB 4.43Å; F461-F647 HydrophobicContact CB-CD1 3.94Å; F461-F647 HydrophobicContact CB-CE1 4.36Å; F461-F647 HydrophobicContact CB-CG 4.08Å; V463-F647 HydrophobicContact CG2-CZ 4.28Å; V469-F647 HydrophobicContact CG1-CD2 4.44Å; V469-F647 HydrophobicContact CG1-CE2 3.79Å; V469-F647 HydrophobicContact CG2-CE2 4.13Å; V469-F647 HydrophobicContact CG2-CZ 4.47Å; Y635-F647 AromaticContact CD1-CE1 3.93Å; Y635-F647 HydrophobicContact CD1-CE1 3.93Å; Y635-F647 HydrophobicContact CD1-CE2 4.13Å; Y635-F647 AromaticContact CD1-CZ 3.67Å; Y635-F647 HydrophobicContact CD1-CZ 3.67Å; Y635-F647 HydrophobicContact CE1-CE1 4.33Å; Y635-F647 HydrophobicContact CE1-CZ 4.4Å; Y635-F647 HydrophobicContact CG-CE2 4.31Å; Y635-F647 HydrophobicContact CG-CZ 4.02Å; Y636-F647 WeakPolarHBondContact O-CA 3.33Å; L637-F647 HydrophobicContact CB-CD2 4.18Å; L637-F647 HydrophobicContact CD1-CB 4.1Å; L637-F647 HydrophobicContact CD1-CD2 4.38Å
648	K	94	Very high	87.3	Confident	102 Å²	102	80.5 Å²	80.5	44%	0.443	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.5	-173.3	-76.9	-176.7	177.4	171.1	0	112	Y635 Y636 E646	Y635-K648 WeakPolarHBondContact CA-O 3.49Å; Y635-K648 VanDerWaalsContact CD1-C 3.49Å; Y635-K648 WeakPolarHBondContact CD1-O 3.19Å; Y636-K648 HydrophobicContact CD1-CB 4.38Å; Y636-K648 WeakPolarHBondContact CD1-O 3.26Å; Y636-K648 HydrophobicContact CE1-CB 3.65Å; Y636-K648 PolarHBondContact N-O 3.08Å; Y636-K648 PolarHBondContact O-N 2.98Å; Y636-K648 VanDerWaalsContact O-N 3.12Å; E646-K648 HydrophobicContact CG-CD 3.88Å; E646-K648 HydrophobicContact CG-CG 3.96Å; E646-K648 VanDerWaalsContact OE1-CD 3.31Å; E646-K648 WeakPolarHBondContact OE1-CD 3.49Å; E646-K648 WeakPolarHBondContact OE1-CE 3.37Å; E646-K648 IonicContact OE1-NZ 3.56Å; E646-K648 PolarHBondContact OE1-NZ 3.43Å
649	P	93.8	Very high	85.9	Confident	66 Å²	66	85 Å²	85	43%	0.429	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	145.5	170.5	29	-34	0	0	0	110.4	E634 Y635	E634-P649 WeakPolarHBondContact O-CA 3.36Å; Y635-P649 HydrophobicContact CD1-CB 4.19Å; Y635-P649 HydrophobicContact CE1-CB 3.88Å; Y635-P649 HydrophobicContact CE1-CG 4.4Å
650	I	92.2	Very high	85.6	Confident	45 Å²	45	89.2 Å²	89.2	23%	0.231	47%	0.472	C	S	.	.			trans	-79.2	122	173.6	-63.9	167	0	0	0	107.9	W630 H633 E634 Y636	W630-I650 HydrophobicContact CE3-CD1 3.86Å; W630-I650 HydrophobicContact CE3-CG1 4.08Å; W630-I650 HydrophobicContact CE3-CG2 4.16Å; W630-I650 HydrophobicContact CZ3-CD1 4.24Å; W630-I650 HydrophobicContact CZ3-CG1 4.11Å; H633-I650 HydrophobicContact CB-CD1 3.96Å; H633-I650 WeakPolarHBondContact O-CD1 3.45Å; E634-I650 PolarHBondContact O-N 2.97Å; Y636-I650 HydrophobicContact CD1-CG1 3.84Å; Y636-I650 HydrophobicContact CG-CG1 4.44Å
651	T	90.5	Very high	85.4	Confident	76 Å²	76	91.4 Å²	91.4	47%	0.466	48%	0.484	S	S	.	.			trans	-119.5	167.5	175.8	62.5	0	0	0	0	110.1	E653 T654	T651-E653 PolarHBondContact O-N 3.2Å; T651-E653 VanDerWaalsContact O-N 3.17Å; T651-T654 PolarHBondContact N-OG1 2.85Å; T651-T654 WeakPolarHBondContact O-CB 3.4Å; T651-T654 PolarHBondContact O-N 2.87Å; T651-T654 PolarHBondContact O-OG1 3.09Å; T651-T654 VanDerWaalsContact O-OG1 3.09Å; T651-T654 PolarHBondContact OG1-OG1 3.26Å
652	E	79.8	Confident	85.3	Confident	210 Å²	210	93.9 Å²	93.9	98%	0.981	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.5	176.7	-64.2	-177	175.1	0	0	113.3	T654	E652-T654 VanDerWaalsContact C-N 3.31Å
653	E	81.1	Confident	85.2	Confident	181 Å²	181	86 Å²	86	85%	0.846	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.2	176	-60.9	-179.3	176.6	0	0	113.1	T651 V655	T651-E653 PolarHBondContact O-N 3.2Å; T651-E653 VanDerWaalsContact O-N 3.17Å; E653-V655 PolarHBondContact O-N 3.1Å
654	T	84.8	Confident	85.3	Confident	25 Å²	25	90 Å²	90	15%	0.153	48%	0.477	C	S	.	.			trans	-70.7	124.6	-177	-59.6	0	0	0	0	110	W630 Y636 T651 E652 E656	W630-T654 HydrophobicContact CH2-CG2 4.36Å; W630-T654 HydrophobicContact CZ3-CG2 3.66Å; Y636-T654 HydrophobicContact CD1-CG2 3.94Å; Y636-T654 HydrophobicContact CE1-CG2 3.62Å; T651-T654 PolarHBondContact N-OG1 2.85Å; T651-T654 WeakPolarHBondContact O-CB 3.4Å; T651-T654 PolarHBondContact O-N 2.87Å; T651-T654 PolarHBondContact O-OG1 3.09Å; T651-T654 VanDerWaalsContact O-OG1 3.09Å; T651-T654 PolarHBondContact OG1-OG1 3.26Å; E652-T654 VanDerWaalsContact C-N 3.31Å; T654-E656 PolarHBondContact O-N 2.85Å; T654-E656 VanDerWaalsContact O-N 3.16Å
655	V	81.4	Confident	85	Confident	100 Å²	100	89.1 Å²	89.1	61%	0.606	47%	0.472	S	S	*	.			trans	-70.5	112.2	175.9	179.6	0	0	0	0	108.9	E653 F657	E653-V655 PolarHBondContact O-N 3.1Å; V655-F657 HydrophobicContact CB-CZ 4.22Å; V655-F657 HydrophobicContact CG1-CE1 4.17Å; V655-F657 HydrophobicContact CG1-CZ 4.27Å; V655-F657 WeakPolarHBondContact O-CD2 3.45Å; V655-F657 WeakPolarHBondContact O-CE2 3.2Å; V655-F657 PolarHBondContact O-N 3.43Å
656	E	85	Confident	84.4	Confident	90 Å²	90	90.6 Å²	90.6	42%	0.421	49%	0.486	S	S	.	.			trans	-71.9	116.2	176.2	-63.3	-176.5	170.7	0	0	111.1	K627 W630 T654	K627-E656 HydrophobicContact CD-CB 4.43Å; K627-E656 HydrophobicContact CG-CB 4.45Å; W630-E656 HydrophobicContact CB-CG 4.41Å; W630-E656 HydrophobicContact CD2-CB 4.14Å; W630-E656 HydrophobicContact CD2-CG 3.85Å; W630-E656 HydrophobicContact CE3-CG 4.08Å; W630-E656 HydrophobicContact CG-CB 4.42Å; W630-E656 HydrophobicContact CG-CG 4.01Å; W630-E656 HydrophobicContact CZ2-CB 4.49Å; T654-E656 PolarHBondContact O-N 2.85Å; T654-E656 VanDerWaalsContact O-N 3.16Å
657	F	73.8	Confident	83.7	Confident	83 Å²	83	92.6 Å²	92.6	36%	0.364	50%	0.5	S	S	.	.			trans	-89.8	129.3	175	-55.1	-79.9	0	0	0	110.2	W630 V655	W630-F657 AromaticContact CH2-CD2 3.95Å; W630-F657 HydrophobicContact CH2-CD2 3.95Å; W630-F657 HydrophobicContact CZ2-CB 4.21Å; W630-F657 HydrophobicContact CZ2-CD2 4.11Å; W630-F657 VanDerWaalsContact CZ2-N 3.26Å; W630-F657 PolarHBondContact NE1-O 3.31Å; V655-F657 HydrophobicContact CB-CZ 4.22Å; V655-F657 HydrophobicContact CG1-CE1 4.17Å; V655-F657 HydrophobicContact CG1-CZ 4.27Å; V655-F657 WeakPolarHBondContact O-CD2 3.45Å; V655-F657 WeakPolarHBondContact O-CE2 3.2Å; V655-F657 PolarHBondContact O-N 3.43Å
658	G	72.9	Confident	82.7	Confident	37 Å²	37	95.9 Å²	95.9	38%	0.381	52%	0.523	S	S	.	.			trans	147.1	176.5	178.1	0	0	0	0	0	115.5	H625 K627	H625-G658 CarbonylContact O-C 3.59Å; H625-G658 WeakPolarHBondContact O-CA 3.48Å; K627-G658 WeakPolarHBondContact CE-O 3.08Å
659	S	63.6	Low	81.7	Confident	136 Å²	136	95.4 Å²	95.4	95%	0.951	53%	0.53	S	S	*	.			trans	-93	0	171	58.6	0	0	0	0	112.1	H625 K627	H625-S659 PolarHBondContact O-N 3.39Å; H625-S659 PolarHBondContact O-OG 3.16Å; K627-S659 PolarHBondContact N-O 3.42Å

Retrieved 659 of 659 residues in 1396.5 ms (Link to these results)

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